Geometry & MOs

Info

ID:	395755
PubChem CID:	135026458
Reduced:	O9C43H72 (1)
Stoich.:	A9B43C72 (1)
Weight, g/mol:	312.193674
ΔH_f, kcal/mol:	-438.55
Dipole, Da:	6.27
IP(EA), eV:	-9.04(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxypropyl 2-acetyl-5,9-dimethyldeca-4,8-dienoate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CCC(=O)C(CC=C(C)CCC=C(C)C)(CC=C(C)CCC=C(C)C)C(=O)OC(COC(CO)CO)COC(CO)CO)/C)C

DOS

IR

Vibrations