Geometry & MOs

Info

ID:	216342
PubChem CID:	85086075
Reduced:	O2C7H12 (2)
Stoich.:	A2B7C12 (2)
Weight, g/mol:	256.167459
ΔH_f, kcal/mol:	-204.76
Dipole, Da:	1.7
IP(EA), eV:	-9.58(1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-dihydroxy-5,9-dimethyldeca-2,8-dienoate

Drug info:

PubChemData

Smile

CC1(C2(CCC(O1)(C3(O2)CCCCO3)C)OC)C

DOS

IR

Vibrations