Geometry & MOs

Info

ID:	77925
PubChem CID:	49674685
Reduced:	FO2N4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	370.144119
ΔH_f, kcal/mol:	-16.89
Dipole, Da:	3.1
IP(EA), eV:	-8.92(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-fluorophenyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNC(=O)C2=CN(N=N2)C3=CC(=CC=C3)F

DOS

IR

Vibrations