Geometry & MOs

Info

ID:	29527
PubChem CID:	834753
Reduced:	NOCl2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	243.105942
ΔH_f, kcal/mol:	-21.93
Dipole, Da:	3.75
IP(EA), eV:	-9.18(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-4-fluorobenzamide

Drug info:

PubChemData

Smile

C[C@H]([C@H](C1=CC=CC=C1)O)NCC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations