Geometry & MOs

Info

ID:	18896
PubChem CID:	550783
Reduced:	ON2C22H38 (1)
Stoich.:	AB2C22D38 (1)
Weight, g/mol:	346.298414
ΔH_f, kcal/mol:	-87.21
Dipole, Da:	3.01
IP(EA), eV:	-8.9(1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[17-(1-aminoethyl)-10-methyl-3-(methylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-13-yl]methanol

Drug info:

PubChemData

Smile

CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)NC)C)CO)N

DOS

IR

Vibrations