Geometry & MOs

Info

ID:	253153
PubChem CID:	103116377
Reduced:	O2N6C13H20 (1)
Stoich.:	A2B6C13D20 (1)
Weight, g/mol:	304.074245
ΔH_f, kcal/mol:	-7.11
Dipole, Da:	6.83
IP(EA), eV:	-9.11(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylimidazol-2-yl)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC)CCN1C(=C(N=N1)C(=O)O)C2=NC=CN2C

DOS

IR

Vibrations