Geometry & MOs

Info

ID:	294728
PubChem CID:	117486372
Reduced:	BrNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	301.03136
ΔH_f, kcal/mol:	-106.53
Dipole, Da:	2.45
IP(EA), eV:	-8.45(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC2=C(C(=CC(=C2O1)OC)C(CN)O)Br

DOS

IR

Vibrations