Geometry & MOs

Info

ID:	159702
PubChem CID:	57288644
Reduced:	ON2C23H28 (1)
Stoich.:	AB2C23D28 (1)
Weight, g/mol:	401.304228
ΔH_f, kcal/mol:	31.59
Dipole, Da:	4.95
IP(EA), eV:	-8.0(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3aS,3bS,10aR,10bR,12aS)-7,10a,12a-trimethyl-8-oxo-2,3,3a,3b,4,5,7,10b,11,12-decahydro-1H-indeno[5,4-a]quinolizin-1-yl]methyl]-3-propylurea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(C)C)C=CC2C(C3CC4=CC=CC=C4N3O2)(C)C

DOS

IR

Vibrations