Geometry & MOs

Info

ID:	4371
PubChem CID:	11300
Reduced:	C27H46 (1)
Stoich.:	A27B46 (1)
Weight, g/mol:	370.359951
ΔH_f, kcal/mol:	-85.18
Dipole, Da:	0.43
IP(EA), eV:	-9.04(1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCCC4)C)C

DOS

IR

Vibrations