Geometry & MOs

Info

ID:	128473
PubChem CID:	51045677
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	417.02119
ΔH_f, kcal/mol:	-78.68
Dipole, Da:	4.66
IP(EA), eV:	-8.25(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]benzene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)/C=C/NC2=CC=CC=C2OCC

DOS

IR

Vibrations