Geometry & MOs

Info

ID:	147001
PubChem CID:	53776997
Reduced:	N2O4C30H41 (1)
Stoich.:	A2B4C30D41 (1)
Weight, g/mol:	289.240565
ΔH_f, kcal/mol:	-123.11
Dipole, Da:	2.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765244
Charge, e:	0

Chem-info

IUPAC name:

(3aS,3bS,5aR,9aR,9bS,11aS)-5,9a,11a-trimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

CC(C)CN(C(=O)C1=CC=CC=C1)[N@@+]2(CCC3CCCCC3[C@]2(C4=CC(=CC=C4)OC(=O)C)OC)C

DOS

IR

Vibrations