Geometry & MOs

Info

ID:	380178
PubChem CID:	134970531
Reduced:	O2C21H34 (1)
Stoich.:	A2B21C34 (1)
Weight, g/mol:	320.235145
ΔH_f, kcal/mol:	-97.91
Dipole, Da:	2.84
IP(EA), eV:	-8.58(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3,5-dimethyl-6-[(E,4R,6R,8S)-4,6,8-trimethyldec-2-en-2-yl]pyran-2-one

Drug info:

PubChemData

Smile

CC/C=C/[C@H](C)C[C@@H](C)C[C@H](C)COCC1=CC=C(C=C1)OC

DOS

IR

Vibrations