Geometry & MOs

Info

ID:	25363
PubChem CID:	623633
Reduced:	C21H22 (1)
Stoich.:	A21B22 (1)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	58.41
Dipole, Da:	0.53
IP(EA), eV:	-8.45(0.47)
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]phenanthren-17-yl) formate

Drug info:

PubChemData

Smile

CC=C1C2=CC=C(CCCC3=CC=C(C1=CC)C=C3)C=C2

DOS

IR

Vibrations