Geometry & MOs

Info

ID:	294730
PubChem CID:	117486395
Reduced:	BrNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	301.03136
ΔH_f, kcal/mol:	-92.45
Dipole, Da:	2.1
IP(EA), eV:	-8.68(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminopropyl)-5-bromo-2,3-dimethoxybenzaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1CCCN)OCCO2)Br

DOS

IR

Vibrations