Geometry & MOs

Info

ID:	124471
PubChem CID:	50884855
Reduced:	BrO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	377.06266
ΔH_f, kcal/mol:	25.03
Dipole, Da:	6.97
IP(EA), eV:	-8.75(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4,5-diethoxyphenyl)-N-(4-methoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C(/C#N)\C2=NC3=C(N2)C=C(C=C3)C)Br)OCC

DOS

IR

Vibrations