Geometry & MOs

Info

ID:	219250
PubChem CID:	85096709
Reduced:	F3N4O4H21C23 (1)
Stoich.:	A3B4C4D21E23 (1)
Weight, g/mol:	474.167853
ΔH_f, kcal/mol:	-239.25
Dipole, Da:	13.43
IP(EA), eV:	-9.09(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethoxy-4-phenylmethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one

Drug info:

PubChemData

Smile

CC1C(CN1C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F)NC(=O)C(C)N

DOS

IR

Vibrations