Geometry & MOs

Info

ID:	253129
PubChem CID:	103116228
Reduced:	ON4C13H14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	29.89
Dipole, Da:	5.45
IP(EA), eV:	-8.4(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)N2CC3=C(C2)C=C(C=C3)N

DOS

IR

Vibrations