Geometry & MOs

Info

ID:	126570
PubChem CID:	50968305
Reduced:	ON3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	323.138225
ΔH_f, kcal/mol:	-66.82
Dipole, Da:	1.64
IP(EA), eV:	-8.69(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-pyridin-3-yloxypropyl)-3-(1,2,4-triazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC(C)C23CC4CC(C2)CC(C4)(C3)O)C

DOS

IR

Vibrations