Geometry & MOs

Info

ID:	4828
PubChem CID:	12105
Reduced:	OC8H8 (1)
Stoich.:	AB8C8 (1)
Weight, g/mol:	120.057515
ΔH_f, kcal/mol:	-12.74
Dipole, Da:	4.03
IP(EA), eV:	-9.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbenzaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=O

DOS

IR

Vibrations