Geometry & MOs

Info

ID:	276709
PubChem CID:	103824767
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	225.15896
ΔH_f, kcal/mol:	-143.02
Dipole, Da:	1.71
IP(EA), eV:	-9.88(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[methyl(propan-2-yl)amino]propyl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)NCCOCCO

DOS

IR

Vibrations