Geometry & MOs

Info

ID:	4484
PubChem CID:	11477
Reduced:	ClOH5C7 (1)
Stoich.:	ABC5D7 (1)
Weight, g/mol:	140.002893
ΔH_f, kcal/mol:	-12.08
Dipole, Da:	3.84
IP(EA), eV:	-9.88(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chlorobenzaldehyde

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C=O

DOS

IR

Vibrations