Geometry & MOs

Info

ID:	253126
PubChem CID:	103116205
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	21.79
Dipole, Da:	6.89
IP(EA), eV:	-8.27(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1=CC=CC(=C1)N)C(=O)C2=NN(C=C2)C

DOS

IR

Vibrations