Geometry & MOs

Info

ID:	253916
PubChem CID:	103121485
Reduced:	O2N6C9H10 (1)
Stoich.:	A2B6C9D10 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	19.39
Dipole, Da:	6.92
IP(EA), eV:	-10.17(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-(1-phenylethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)CN2C(=C(N=N2)C(=O)O)CN

DOS

IR

Vibrations