Geometry & MOs

Info

ID:	216310
PubChem CID:	85086028
Reduced:	OC5H8 (3)
Stoich.:	AB5C8 (3)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	-159.29
Dipole, Da:	2.61
IP(EA), eV:	-8.99(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7,11-dimethyl-8-oxododeca-2,9-dienoate

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)CCC(=CCC(=O)O)O

DOS

IR

Vibrations