Geometry & MOs

Info

ID:	276737
PubChem CID:	103824849
Reduced:	O3N4C9H16 (1)
Stoich.:	A3B4C9D16 (1)
Weight, g/mol:	212.127326
ΔH_f, kcal/mol:	-93.5
Dipole, Da:	3.65
IP(EA), eV:	-10.01(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-methylpentyl)-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CCOC)(CNC(=O)C1=NC=NN1)O

DOS

IR

Vibrations