Geometry & MOs

Info

ID:	253576
PubChem CID:	103119373
Reduced:	O2N7C9H13 (1)
Stoich.:	A2B7C9D13 (1)
Weight, g/mol:	250.117824
ΔH_f, kcal/mol:	15.73
Dipole, Da:	6.31
IP(EA), eV:	-9.96(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=NN=C1CN2C(=C(N=N2)C(=O)O)CCN

DOS

IR

Vibrations