Geometry & MOs

Info

ID:	309523
PubChem CID:	126546862
Reduced:	F2O3C24H26 (1)
Stoich.:	A2B3C24D26 (1)
Weight, g/mol:	400.148616
ΔH_f, kcal/mol:	-180.28
Dipole, Da:	1.48
IP(EA), eV:	-8.98(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7aR)-7a-[(2S)-1-(2,5-difluoro-4-phenylmethoxyphenyl)propan-2-yl]-6,7-dihydro-1,3-benzodioxol-5-one

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1F)OCC2=CC=CC=C2)F)C3=CCC4(CC3)OCCO4

DOS

IR

Vibrations