Geometry & MOs

Info

ID:	1177
PubChem CID:	3915
Reduced:	FN2O2C26H29 (1)
Stoich.:	AB2C2D26E29 (1)
Weight, g/mol:	420.221306
ΔH_f, kcal/mol:	-72.11
Dipole, Da:	3.07
IP(EA), eV:	-8.93(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-cyano-4-(4-fluorophenyl)cyclohexyl]-3-methyl-4-phenylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CN(CCC1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F

DOS

IR

Vibrations