Geometry & MOs

Info

ID:	217953
PubChem CID:	85088645
Reduced:	O6C23H42 (1)
Stoich.:	A6B23C42 (1)
Weight, g/mol:	414.27701
ΔH_f, kcal/mol:	-297.52
Dipole, Da:	5.98
IP(EA), eV:	-9.56(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7-dimethylocta-2,6-dienyl)-2-[2-(3-hydroxypropyl)-4,5-dimethoxyphenyl]cyclopentan-1-one

Drug info:

PubChemData

Smile

CC(=CCCC(=CC(C(CCO)CCOCOC)OCOC)C)CCCC(=O)C

DOS

IR

Vibrations