Geometry & MOs

Info

ID:	43514
PubChem CID:	10321409
Reduced:	BrClO2N4H16C19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	446.035561
ΔH_f, kcal/mol:	30.9
Dipole, Da:	3.21
IP(EA), eV:	-8.64(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-bis(4-methylphenyl)-N-(2,4,5-trichloro-3,6-dioxocyclohexa-1,4-dien-1-yl)ethanimidamide

Drug info:

PubChemData

Smile

COC1=CC(=NC(=N1)/C(=N\NC2=CC=C(C=C2)Br)/C3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations