Geometry & MOs

Info

ID:	253101
PubChem CID:	103116052
Reduced:	O2N4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-13.88
Dipole, Da:	4.94
IP(EA), eV:	-8.6(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N(CCO)C2=CC=CC=C2N

DOS

IR

Vibrations