Geometry & MOs

Info

ID:	320616
PubChem CID:	126662077
Reduced:	ON4C31H48 (1)
Stoich.:	AB4C31D48 (1)
Weight, g/mol:	386.282095
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	4.92
IP(EA), eV:	-8.9(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-4-(10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate

Drug info:

PubChemData

Smile

CCCCNC(=O)C1CCC(=CC1)C2=CC=C(C=C2)CCC3CCN(CC3)C(=NC)CN=CC(C)C

DOS

IR

Vibrations