Geometry & MOs

Info

ID:	414509
PubChem CID:	135087468
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	359.094916
ΔH_f, kcal/mol:	-80.54
Dipole, Da:	2.92
IP(EA), eV:	-8.98(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-fluoro-3-methyl-N-[2-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1CCCCN1C2CN(C2)C3=NOC(=C3C(=O)O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations