Geometry & MOs

Info

ID:

442998

PubChem CID:

135257351

Reduced:

N2O3H64C72 (1)

Stoich.:

A2B3C64D72 (1)

Weight, g/mol:

569.351846

ΔHf, kcal/mol:

117.74

Dipole, Da:

6.94

IP(EA), eV:

 -7.94(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[4-(7-methyl-2,3,4,4a,5,6,8,8a-octahydro-1H-1,7-naphthyridin-2-yl)phenyl]-N,N-diphenyl-1,2,3,4,4a,9a-hexahydropyrido[2,3-b]indol-6-amine

Drug info:

PubChemData

Smile

C1CC[C@H]2CC2CC(CC1)C34CC(C(CC3C5=C(O4)C=C(C(=C5)C6=CC=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)C9=CC=CC=C9)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)C1=CC=CC=C1

DOS

IR

Vibrations