Geometry & MOs

Info

ID:	381797
PubChem CID:	134972627
Reduced:	NC21H21 (1)
Stoich.:	AB21C21 (1)
Weight, g/mol:	364.031623
ΔH_f, kcal/mol:	41.07
Dipole, Da:	2.63
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorophenyl)methyl]-3-[(2-chlorophenyl)methylamino]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CC1(CCC2=C(C3=CC=CC=C3N=C2C1)C4=CC=CC=C4)C

DOS

IR

Vibrations