Geometry & MOs

Info

ID:	196596
PubChem CID:	78851915
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	372.115317
ΔH_f, kcal/mol:	-73.04
Dipole, Da:	6.87
IP(EA), eV:	-8.95(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[1-(2-fluorophenyl)ethyl]-N,5-dimethyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)N3CCN(CC3)CC(=O)N4CCOCC4

DOS

IR

Vibrations