Geometry & MOs

Info

ID:	190779
PubChem CID:	78055973
Reduced:	N2O4C23H27 (2)
Stoich.:	A2B4C23D27 (2)
Weight, g/mol:	300.20893
ΔH_f, kcal/mol:	-273.44
Dipole, Da:	4.26
IP(EA), eV:	-8.92(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-3,13-dimethyl-1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CC(=O)OCN(C)C1=C2CCCCC2=C(C3=C1CCCC3)C=C(C#N)C(=O)OCCOC(=O)C(=CC4=C5CCCCC5=C(C6=C4CCCC6)N(C)COC(=O)C)C#N

DOS

IR

Vibrations