Geometry & MOs

Info

ID:	254015
PubChem CID:	103122204
Reduced:	N6C7H8 (1)
Stoich.:	A6B7C8 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	109.86
Dipole, Da:	1.16
IP(EA), eV:	-8.74(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)/C(=N\N)/N)C=N1

DOS

IR

Vibrations