Geometry & MOs

Info

ID:	143702
PubChem CID:	53251090
Reduced:	ON3H17C18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	318.093519
ΔH_f, kcal/mol:	35.45
Dipole, Da:	3.18
IP(EA), eV:	-8.9(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-fluoro-N-(4-pyrrolidin-3-ylphenyl)benzamide

Drug info:

PubChemData

Smile

C1CNCC1C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations