Geometry & MOs

Info

ID:	278022
PubChem CID:	103832785
Reduced:	ClFON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	292.134241
ΔH_f, kcal/mol:	-98.29
Dipole, Da:	3.89
IP(EA), eV:	-9.16(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chlorophenyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NC1=C(C=CC(=C1)F)Cl)N

DOS

IR

Vibrations