Geometry & MOs

Info

ID:	60011
PubChem CID:	26664402
Reduced:	NCl2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	345.113171
ΔH_f, kcal/mol:	-56.44
Dipole, Da:	5.18
IP(EA), eV:	-8.98(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2CCCN2C(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations