Geometry & MOs

Info

ID:	244412
PubChem CID:	99350731
Reduced:	ClN2O3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	398.13972
ΔH_f, kcal/mol:	-67.05
Dipole, Da:	2.4
IP(EA), eV:	-8.35(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)NC[C@@H]3CCN(C3)C4=CC=CC=C4OC

DOS

IR

Vibrations