Geometry & MOs

Info

ID:	196613
PubChem CID:	78853879
Reduced:	FOSN2H19C20 (1)
Stoich.:	ABCD2E19F20 (1)
Weight, g/mol:	368.140389
ΔH_f, kcal/mol:	-20.4
Dipole, Da:	4.34
IP(EA), eV:	-8.91(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-N-ethyl-5-methyl-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN(C1=C(C=CC(=C1)C)C)C(=O)C2=CSC(=N2)C3=CC=C(C=C3)F

DOS

IR

Vibrations