Geometry & MOs

Info

ID:	399765
PubChem CID:	135042430
Reduced:	OC19H30 (1)
Stoich.:	AB19C30 (1)
Weight, g/mol:	228.078644
ΔH_f, kcal/mol:	-56.23
Dipole, Da:	1.45
IP(EA), eV:	-8.6(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methoxy-4-oxocyclohexa-2,5-dien-1-yl)benzaldehyde

Drug info:

PubChemData

Smile

CCCCCCCCC/C=C/CC1=CC=C(C=C1)OC

DOS

IR

Vibrations