Geometry & MOs

Info

ID:	128866
PubChem CID:	51061545
Reduced:	BrN2O3H25C26 (1)
Stoich.:	AB2C3D25E26 (1)
Weight, g/mol:	447.143035
ΔH_f, kcal/mol:	-41.72
Dipole, Da:	7.38
IP(EA), eV:	-8.96(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(E)-[[2-(2-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations