Geometry & MOs

Info

ID:	186214
PubChem CID:	77405404
Reduced:	ON2C24H32 (1)
Stoich.:	AB2C24D32 (1)
Weight, g/mol:	367.231143
ΔH_f, kcal/mol:	89.46
Dipole, Da:	3.14
IP(EA), eV:	-7.16(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(5-fluoropyridin-3-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC12CCC(CC1=CCC3C2CCC4(C3CC=C4C5=CC(=CN=C5)N)C)O

DOS

IR

Vibrations