Geometry & MOs

Info

ID:	83637
PubChem CID:	49859496
Reduced:	OC26H44 (1)
Stoich.:	AB26C44 (1)
Weight, g/mol:	356.162374
ΔH_f, kcal/mol:	-99.66
Dipole, Da:	4.31
IP(EA), eV:	-8.88(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(3S,4S)-5,7-dimethoxy-4-(2-phenylethenyl)-3,4-dihydro-1H-isochromen-3-yl]ethane-1,2-diol

Drug info:

PubChemData

Smile

CCCCCCCC=CC1=CC2(CC1(C(CC2=O)CCCCCCC)C)C

DOS

IR

Vibrations