Geometry & MOs

Info

ID:	373643
PubChem CID:	131318176
Reduced:	BrNO2C12H12 (1)
Stoich.:	ABC2D12E12 (1)
Weight, g/mol:	230.02652
ΔH_f, kcal/mol:	-46.07
Dipole, Da:	4.54
IP(EA), eV:	-9.95(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-5-(3-chloropropyl)benzaldehyde

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)CBr)CCC#N

DOS

IR

Vibrations