Geometry & MOs

Info

ID:	169439
PubChem CID:	75104473
Reduced:	OC14H23 (2)
Stoich.:	AB14C23 (2)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	-109.74
Dipole, Da:	1.04
IP(EA), eV:	-9.12(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-5-methylhexa-1,3-dienyl)-2,3-dihydropyran-6-one

Drug info:

PubChemData

Smile

CCC(=CC(C)CC=CCC(C)CCC=C(C)C)C=CC1CC=CC(O1)OC(C)C

DOS

IR

Vibrations