Geometry & MOs

Info

ID:	144231
PubChem CID:	53334897
Reduced:	N2O6H18C23 (1)
Stoich.:	A2B6C18D23 (1)
Weight, g/mol:	467.097202
ΔH_f, kcal/mol:	-97.17
Dipole, Da:	3.62
IP(EA), eV:	-8.52(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1OC(=NC3=CC4=C(C=C3)OCO4)C(=C2)C(=O)NCC5=CC=CO5

DOS

IR

Vibrations