Geometry & MOs

Info

ID:	180441
PubChem CID:	76633019
Reduced:	O3C24H34 (1)
Stoich.:	A3B24C34 (1)
Weight, g/mol:	286.19328
ΔH_f, kcal/mol:	-159.16
Dipole, Da:	2.73
IP(EA), eV:	-9.64(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methyl-3-oxo-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-carbaldehyde

Drug info:

PubChemData

Smile

CCCC1CC2C3CCC4(C(C3CCC2=CC1=O)CC(=C)C4OC(=O)C)C

DOS

IR

Vibrations