Geometry & MOs

Info

ID:	244394
PubChem CID:	99350595
Reduced:	SN2O3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-79.55
Dipole, Da:	5.22
IP(EA), eV:	-8.2(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SCCC(=O)NC[C@@H]2CCN(C2)C3=CC=CC=C3OC

DOS

IR

Vibrations