Geometry & MOs

Info

ID:	276081
PubChem CID:	103820424
Reduced:	ClNOC6H8 (2)
Stoich.:	ABCD6E8 (2)
Weight, g/mol:	259.086938
ΔH_f, kcal/mol:	-104.84
Dipole, Da:	5.0
IP(EA), eV:	-9.32(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyano-2-fluorophenyl)-2-(1,2,4-triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)NC1=CC(=CC(=C1)Cl)Cl)CO

DOS

IR

Vibrations