Geometry & MOs

Info

ID:	253020
PubChem CID:	103115536
Reduced:	O3N6C11H14 (1)
Stoich.:	A3B6C11D14 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-39.16
Dipole, Da:	8.57
IP(EA), eV:	-9.76(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylimidazol-4-yl)-1-(2-methylpentyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)CCN1C(=C(N=N1)C(=O)O)C2=CN=CN2C

DOS

IR

Vibrations