Geometry & MOs

Info

ID:	224834
PubChem CID:	85437576
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	358.098524
ΔH_f, kcal/mol:	-29.39
Dipole, Da:	6.28
IP(EA), eV:	-8.48(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-4-yl]-1-phenylmethanimine

Drug info:

PubChemData

Smile

CCOC1C(C(NC(=S)N1)C)C2=CC=CC=C2

DOS

IR

Vibrations