Geometry & MOs

Info

ID:	13361
PubChem CID:	227057
Reduced:	O3C22H34 (1)
Stoich.:	A3B22C34 (1)
Weight, g/mol:	346.250795
ΔH_f, kcal/mol:	-192.2
Dipole, Da:	7.2
IP(EA), eV:	-9.62(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-7-hydroxy-4a,6a-dimethyl-3,4,4b,6,8,9,10,10a,10b,11,12,12a-dodecahydro-1H-chrysene-2,5-dione

Drug info:

PubChemData

Smile

CCC1(CCCC2C1(CC(=O)C3C2CCC4C3(CCC(=O)C4)C)C)O

DOS

IR

Vibrations