Geometry & MOs

Info

ID:	185791
PubChem CID:	77348007
Reduced:	N2O3C35H44 (1)
Stoich.:	A2B3C35D44 (1)
Weight, g/mol:	450.288243
ΔH_f, kcal/mol:	-118.78
Dipole, Da:	5.38
IP(EA), eV:	-9.12(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-1-yl) N-(2-phenylpropan-2-yl)carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=O)OC3CCC4C3(CCC5C4CCC6C5(C=CC(=O)N6C)C)C

DOS

IR

Vibrations