Geometry & MOs

Info

ID:	31155
PubChem CID:	854845
Reduced:	ClNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	263.05132
ΔH_f, kcal/mol:	-50.85
Dipole, Da:	3.22
IP(EA), eV:	-9.18(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=C(C=C1)Cl)OC2=CC=CC=C2

DOS

IR

Vibrations