Geometry & MOs

Info

ID:	380252
PubChem CID:	134970637
Reduced:	O2C21H34 (1)
Stoich.:	A2B21C34 (1)
Weight, g/mol:	318.25588
ΔH_f, kcal/mol:	-96.73
Dipole, Da:	1.98
IP(EA), eV:	-8.71(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[[(E,2S,4S,6S)-2,4,6-trimethyldec-7-enoxy]methyl]benzene

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