Geometry & MOs

Info

ID:	22105
PubChem CID:	596010
Reduced:	O2C21H30 (1)
Stoich.:	A2B21C30 (1)
Weight, g/mol:	314.22458
ΔH_f, kcal/mol:	-115.77
Dipole, Da:	6.51
IP(EA), eV:	-9.87(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-ethyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione

Drug info:

PubChemData

Smile

CCC1CCC2C1(CCC3C2CC(=O)C4=CC(=O)CCC34C)C

DOS

IR

Vibrations