Geometry & MOs

Info

ID:	141427
PubChem CID:	52876644
Reduced:	FOSN3C23H24 (1)
Stoich.:	ABCD3E23F24 (1)
Weight, g/mol:	369.16079
ΔH_f, kcal/mol:	-17.28
Dipole, Da:	4.42
IP(EA), eV:	-9.09(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-(6-pyrrolidin-1-ylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CC2=CC=CC=C2)NC(=O)C3=CN=C(S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations