Geometry & MOs

Info

ID:	29720
PubChem CID:	836708
Reduced:	N2C15H17 (1)
Stoich.:	A2B15C17 (1)
Weight, g/mol:	313.048126
ΔH_f, kcal/mol:	39.18
Dipole, Da:	3.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.242290
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CC[N+]1=C(C2=C(C=C1C)C3=CC=CC=C3N2)C

DOS

IR

Vibrations