Geometry & MOs

Info

ID:	179503
PubChem CID:	76490596
Reduced:	NSO3C25H35 (1)
Stoich.:	ABC3D25E35 (1)
Weight, g/mol:	399.31373
ΔH_f, kcal/mol:	-150.0
Dipole, Da:	3.43
IP(EA), eV:	-9.62(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpentanoyl)-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

CC12CCCC1C3CCC4C(C3CC2)(C(CC(=O)N4S(=O)(=O)C)C5=CC=CC=C5)C

DOS

IR

Vibrations