Geometry & MOs

Info

ID:	401670
PubChem CID:	135052077
Reduced:	ClO4N5H16C21 (1)
Stoich.:	AB4C5D16E21 (1)
Weight, g/mol:	358.098524
ΔH_f, kcal/mol:	73.36
Dipole, Da:	7.98
IP(EA), eV:	-8.74(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-chlorophenyl)triazol-4-yl]-N,1-diphenylmethanimine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NN/C(=C(/C(=O)NC2=CC=CC=C2Cl)\N=O)/C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations