Geometry & MOs

Info

ID:	187229
PubChem CID:	77547612
Reduced:	F2O11C46H60 (1)
Stoich.:	A2B11C46D60 (1)
Weight, g/mol:	370.148141
ΔH_f, kcal/mol:	-589.12
Dipole, Da:	17.72
IP(EA), eV:	-9.62(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-fluorophenyl)-2-oxo-4-phenylpiperidin-3-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C.CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)OC(=O)C)C)O)F)C

DOS

IR

Vibrations