Geometry & MOs

Info

ID:

410240

PubChem CID:

135083031

Reduced:

NOC20H21 (2)

Stoich.:

ABC20D21 (2)

Weight, g/mol:

582.324629

ΔHf, kcal/mol:

27.65

Dipole, Da:

2.03

IP(EA), eV:

 -8.1(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-6-[[[(1S,2S)-2-[[(Z)-(6-oxo-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),7(15),10(14),11-pentaenylidene)methyl]amino]cyclohexyl]amino]methylidene]tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),7(15),10(14),11-pentaen-5-one

Drug info:

PubChemData

Smile

C1C[C@H]([C@@H](CC1)N/C=C/2\C(=O)C3=CC=C2CCC4=CC=C(C=C4)CC3)N/C=C/5\C(=O)C6=CC=C5CCC7=CC=C(C=C7)CC6

DOS

IR

Vibrations