Geometry & MOs

Info

ID:	128830
PubChem CID:	51060161
Reduced:	O3N5H25C27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	479.04807
ΔH_f, kcal/mol:	33.03
Dipole, Da:	2.76
IP(EA), eV:	-8.39(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C2=NN(C=C2/C=N/NC(=O)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations