Geometry & MOs

Info

ID:	253160
PubChem CID:	103116432
Reduced:	O3N6H10C11 (1)
Stoich.:	A3B6C10D11 (1)
Weight, g/mol:	290.149124
ΔH_f, kcal/mol:	34.6
Dipole, Da:	4.92
IP(EA), eV:	-9.88(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=C(N=NN2CC3=CC=NO3)C(=O)O

DOS

IR

Vibrations