Geometry & MOs

Info

ID:	128881
PubChem CID:	51061860
Reduced:	Cl2N2O4H18C23 (1)
Stoich.:	A2B2C4D18E23 (1)
Weight, g/mol:	414.194343
ΔH_f, kcal/mol:	-63.4
Dipole, Da:	4.35
IP(EA), eV:	-8.6(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-[(4-tert-butylbenzoyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)/C=N/NC(=O)C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations