Geometry & MOs

Info

ID:	381997
PubChem CID:	134972894
Reduced:	SiO2C21H40 (1)
Stoich.:	AB2C21D40 (1)
Weight, g/mol:	350.136553
ΔH_f, kcal/mol:	-156.38
Dipole, Da:	2.69
IP(EA), eV:	-8.28(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-10-hydroxy-7,9-dimethoxy-4-(methoxymethoxy)-3-methyl-3,4,4a,5-tetrahydrobenzo[g]isochromen-1-one

Drug info:

PubChemData

Smile

C/C/1=C(\CCCCCCCCCCCCCCC1=O)/O[Si](C)(C)C

DOS

IR

Vibrations