Geometry & MOs

Info

ID:	253147
PubChem CID:	103116325
Reduced:	O3N5C10H13 (1)
Stoich.:	A3B5C10D13 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	-47.14
Dipole, Da:	5.17
IP(EA), eV:	-9.8(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylimidazol-2-yl)-1-pentan-3-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=C(N=NN2CCCO)C(=O)O

DOS

IR

Vibrations