Geometry & MOs

Info

ID:	196604
PubChem CID:	78852608
Reduced:	ClO2N4C20H25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	388.085767
ΔH_f, kcal/mol:	-43.32
Dipole, Da:	7.57
IP(EA), eV:	-8.48(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)N(C)C(=O)C2CCN(CC2)C3=NC=CC(=N3)OC

DOS

IR

Vibrations