Geometry & MOs

Info

ID:	382925
PubChem CID:	134974364
Reduced:	O5C21H34 (1)
Stoich.:	A5B21C34 (1)
Weight, g/mol:	306.219495
ΔH_f, kcal/mol:	-242.0
Dipole, Da:	7.34
IP(EA), eV:	-9.29(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R,6S)-6-[(2E,4S,5S,6S,7Z)-5-methoxy-4,6-dimethyldeca-2,7,9-trien-2-yl]-5-methyloxan-2-one

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/[C@H](C)[C@@H]([C@@H](C)/C=C(\C)/[C@@H]1[C@@H](CCC(=O)O1)C)OC)/C

DOS

IR

Vibrations