Geometry & MOs

Info

ID:	244405
PubChem CID:	99350622
Reduced:	SN3O3C24H25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	-46.34
Dipole, Da:	4.73
IP(EA), eV:	-8.12(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@H](C2)CNC(=O)C3=CC=CC=C3NC(=O)C4=CSC=C4

DOS

IR

Vibrations