Geometry & MOs

Info

ID:	151193
PubChem CID:	53790893
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-128.99
Dipole, Da:	6.12
IP(EA), eV:	-8.5(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C)NC1CCCC(C1)C[C@@H](C(=O)C2=NC=CS2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations