Geometry & MOs

Info

ID:	128835
PubChem CID:	51060226
Reduced:	ClN2O4H21C24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	408.087685
ΔH_f, kcal/mol:	-69.91
Dipole, Da:	4.28
IP(EA), eV:	-8.63(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(E)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)N/N=C/C2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations