Geometry & MOs

Info

ID:	221214
PubChem CID:	85257282
Reduced:	N2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	298.229666
ΔH_f, kcal/mol:	-55.57
Dipole, Da:	9.08
IP(EA), eV:	-8.78(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4a,6a,8-trimethyl-3,4,4b,5,6,7,10,11,12,12a-decahydro-1H-chrysen-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1C=CN(C=C(C1O)C#N)CC2=CC=CC=C2

DOS

IR

Vibrations