Geometry & MOs

Info

ID:	62418
PubChem CID:	26719697
Reduced:	O2F3N5C18H18 (1)
Stoich.:	A2B3C5D18E18 (1)
Weight, g/mol:	342.088353
ΔH_f, kcal/mol:	-148.0
Dipole, Da:	8.11
IP(EA), eV:	-8.63(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-N-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=NC(=NN12)C(F)(F)F)C)CCC(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations