Geometry & MOs

Info

ID:	309337
PubChem CID:	126545375
Reduced:	FN4O5C22H23 (1)
Stoich.:	AB4C5D22E23 (1)
Weight, g/mol:	342.183109
ΔH_f, kcal/mol:	-131.44
Dipole, Da:	4.94
IP(EA), eV:	-9.64(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7aR)-7a-[1-(3-methoxy-4-methylphenyl)propan-2-yl]-6-prop-2-enyl-6,7-dihydro-1,3-benzodioxol-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2=NNN=N2)C[C@H](C)[C@]34C[C@H](C(=O)C=C3OCO4)C(=O)OCC=C)F

DOS

IR

Vibrations