Geometry & MOs

Info

ID:	138633
PubChem CID:	52398644
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	398.200571
ΔH_f, kcal/mol:	-116.18
Dipole, Da:	5.6
IP(EA), eV:	-8.78(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-fluoro-3-methylphenyl)-2-[4-[(4-methylphenyl)methylcarbamoyl]piperidin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)N1CCNC(=O)[C@@H]1CC(=O)NCCOC2=CC=CC=C2

DOS

IR

Vibrations