Geometry & MOs

Info

ID:	254019
PubChem CID:	103122241
Reduced:	O3N4C9H14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	214.10659
ΔH_f, kcal/mol:	-80.66
Dipole, Da:	4.93
IP(EA), eV:	-10.04(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-(3-hydroxybutan-2-yl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1COCCC1N2C(=C(N=N2)C(=O)O)CN

DOS

IR

Vibrations