Geometry & MOs

Info

ID:	187934
PubChem CID:	77645040
Reduced:	OC19H28 (1)
Stoich.:	AB19C28 (1)
Weight, g/mol:	289.240565
ΔH_f, kcal/mol:	-6.79
Dipole, Da:	2.21
IP(EA), eV:	-8.35(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-amino-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-1-ol

Drug info:

PubChemData

Smile

CC12C=CCCC1CC=C3C2CCC4(C3CCC4)CO

DOS

IR

Vibrations