Geometry & MOs

Info

ID:	141097
PubChem CID:	52817441
Reduced:	ON7C18H21 (1)
Stoich.:	AB7C18D21 (1)
Weight, g/mol:	356.134536
ΔH_f, kcal/mol:	71.58
Dipole, Da:	4.21
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-4-nitroimidazol-1-yl)-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(C=C1)C(=O)NC2=NN(C=N2)CC3=CC=CC=N3

DOS

IR

Vibrations