Geometry & MOs

Info

ID:	253174
PubChem CID:	103116502
Reduced:	O2N8C11H12 (1)
Stoich.:	A2B8C11D12 (1)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	62.59
Dipole, Da:	7.29
IP(EA), eV:	-10.01(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=C(N=NN2CC3=NN=CN3C)C(=O)O

DOS

IR

Vibrations