Geometry & MOs

Info

ID:	244413
PubChem CID:	99350732
Reduced:	ClN2O3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	456.204907
ΔH_f, kcal/mol:	-66.19
Dipole, Da:	2.84
IP(EA), eV:	-8.66(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-(phenoxymethyl)-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