Geometry & MOs

Info

ID:	128880
PubChem CID:	51061859
Reduced:	N2Cl3O5H23C30 (1)
Stoich.:	A2B3C5D23E30 (1)
Weight, g/mol:	456.064363
ΔH_f, kcal/mol:	-91.67
Dipole, Da:	4.42
IP(EA), eV:	-8.73(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,4-dichlorophenyl)methoxy]-N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)Cl)OC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations