Geometry & MOs

Info

ID:	17963
PubChem CID:	530040
Reduced:	OC10H14 (2)
Stoich.:	AB10C14 (2)
Weight, g/mol:	300.20893
ΔH_f, kcal/mol:	-103.38
Dipole, Da:	7.98
IP(EA), eV:	-9.68(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carbaldehyde

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C=O)CCC4=CC(=O)CCC34C

DOS

IR

Vibrations