Geometry & MOs

Info

ID:	187579
PubChem CID:	77594027
Reduced:	O3N5C26H37 (1)
Stoich.:	A3B5C26D37 (1)
Weight, g/mol:	391.251129
ΔH_f, kcal/mol:	-75.8
Dipole, Da:	4.96
IP(EA), eV:	-8.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10-methyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-13-yl)methyl acetate

Drug info:

PubChemData

Smile

CC1CNCC(N1C2=CC=CC=C2C(=O)NC3CC(NN3)CCC4=CC(=CC(=C4)OC)OC)C

DOS

IR

Vibrations