Geometry & MOs

Info

ID:	60010
PubChem CID:	26664387
Reduced:	FCl2O2N4H19C22 (1)
Stoich.:	AB2C2D4E19F22 (1)
Weight, g/mol:	349.063634
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	3.51
IP(EA), eV:	-9.14(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dichlorophenyl)-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C(=O)CC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations