Geometry & MOs

Info

ID:	151194
PubChem CID:	53790894
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-61.24
Dipole, Da:	0.75
IP(EA), eV:	-8.56(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-3-methylpyrrolidine

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](NCC1C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations