Geometry & MOs

Info

ID:	7018
PubChem CID:	70988
Reduced:	OC11H14 (1)
Stoich.:	AB11C14 (1)
Weight, g/mol:	162.104465
ΔH_f, kcal/mol:	-27.44
Dipole, Da:	4.06
IP(EA), eV:	-9.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butylbenzaldehyde

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C=O

DOS

IR

Vibrations