Geometry & MOs

Info

ID:	391217
PubChem CID:	135003593
Reduced:	NC19H23 (1)
Stoich.:	AB19C23 (1)
Weight, g/mol:	441.158766
ΔH_f, kcal/mol:	28.59
Dipole, Da:	1.03
IP(EA), eV:	-8.66(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O'-ethyl 3-O-methyl (2R,3S,4Z)-2-(1,3-benzodioxol-5-yl)-4-[(4-fluorophenyl)methylidene]-1-methylpyrrolidine-3,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C2=CC=CC=C2)N3CCCCC3

DOS

IR

Vibrations