Geometry & MOs

Info

ID:	128837
PubChem CID:	51060262
Reduced:	BrN2O3H23C27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	516.00876
ΔH_f, kcal/mol:	7.93
Dipole, Da:	8.36
IP(EA), eV:	-8.6(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-bromo-2-[(E)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)COC3=C(C4=CC=CC=C4C=C3)Br

DOS

IR

Vibrations