Geometry & MOs

Info

ID:	285075
PubChem CID:	104096574
Reduced:	BrNO2C9H12 (1)
Stoich.:	ABC2D9E12 (1)
Weight, g/mol:	239.079373
ΔH_f, kcal/mol:	-70.83
Dipole, Da:	3.55
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxypropoxy)-4-nitrobenzaldehyde

Drug info:

PubChemData

Smile

CC(CN1C=C(C=CC1=O)Br)OC

DOS

IR

Vibrations