Geometry & MOs

Info

ID:	253921
PubChem CID:	103121528
Reduced:	O3N4C8H14 (1)
Stoich.:	A3B4C8D14 (1)
Weight, g/mol:	275.101839
ΔH_f, kcal/mol:	-80.98
Dipole, Da:	4.08
IP(EA), eV:	-10.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[(4-carbamoylphenyl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOCCN1C(=C(N=N1)C(=O)O)CN

DOS

IR

Vibrations