Geometry & MOs

Info

ID:	253024
PubChem CID:	103115554
Reduced:	O3N5C11H15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	-57.84
Dipole, Da:	5.91
IP(EA), eV:	-9.82(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CN1C(=C(N=N1)C(=O)O)C2=CN=CN2C)O

DOS

IR

Vibrations