Geometry & MOs

Info

ID:	233705
PubChem CID:	92092959
Reduced:	ON4H16C20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	355.088768
ΔH_f, kcal/mol:	69.41
Dipole, Da:	7.11
IP(EA), eV:	-8.98(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-6-fluorophenyl)-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)C2=CC=NC=C2)CNC(=O)C3=CC4=C(C=C3)C=CN4

DOS

IR

Vibrations