Geometry & MOs

Info

ID:	128606
PubChem CID:	51051937
Reduced:	ClN2O2C9H13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	311.122969
ΔH_f, kcal/mol:	-97.61
Dipole, Da:	2.78
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazol-3-amine;nitric acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)CN.Cl

DOS

IR

Vibrations