Geometry & MOs

Info

ID:	26736
PubChem CID:	795880
Reduced:	ClNO2F3H13C16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-212.82
Dipole, Da:	8.87
IP(EA), eV:	-9.18(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

DOS

IR

Vibrations