Geometry & MOs

Info

ID:	253116
PubChem CID:	103116135
Reduced:	O3N6C12H16 (1)
Stoich.:	A3B6C12D16 (1)
Weight, g/mol:	287.113073
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	8.23
IP(EA), eV:	-9.98(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylimidazol-2-yl)-1-[(1-methylimidazol-2-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCNC(=O)C(C)N1C(=C(N=N1)C(=O)O)C2=NC=CN2C

DOS

IR

Vibrations