Geometry & MOs

Info

ID:	398786
PubChem CID:	135035411
Reduced:	N2C9H11 (2)
Stoich.:	A2B9C11 (2)
Weight, g/mol:	876.555357
ΔH_f, kcal/mol:	83.92
Dipole, Da:	1.23
IP(EA), eV:	-8.47(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-methoxy-2-[(3R,9R)-9-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]-6,6-bis[(3R)-3-[(2S)-5-methoxy-2,3-dihydro-1H-indol-2-yl]pent-4-enyl]undeca-1,10-dien-3-yl]-2,3-dihydro-1H-indole

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CN(CCN1[C@H]2C[C@@H]2CC3=CC=CC=C3)C4=NC=CC=N4

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1CN(CCN1[C@H]2C[C@@H]2CC3=CC=CC=C3)C4=NC=CC=N4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):