Geometry & MOs

Info

ID:	294693
PubChem CID:	117483005
Reduced:	BrNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	299.01571
ΔH_f, kcal/mol:	-86.01
Dipole, Da:	3.24
IP(EA), eV:	-8.84(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-aminoprop-1-enyl]-5-bromo-2,3-dimethoxybenzaldehyde

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1C3CNCCO3)Br)OCO2

DOS

IR

Vibrations