Geometry & MOs

Info

ID:	85191
PubChem CID:	49872255
Reduced:	ClON4H13C16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	489.285464
ΔH_f, kcal/mol:	40.72
Dipole, Da:	7.29
IP(EA), eV:	-9.38(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(2,2-dimethylpropyl)piperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]phenyl]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)N2CCN(C2=O)C3=CC(=C(C=C3)C#N)Cl

DOS

IR

Vibrations