Geometry & MOs

Info

ID:	246146
PubChem CID:	103046623
Reduced:	ClFNOC16H19 (1)
Stoich.:	ABCDE16F19 (1)
Weight, g/mol:	309.12957
ΔH_f, kcal/mol:	-87.03
Dipole, Da:	4.37
IP(EA), eV:	-8.92(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]cyclohexan-1-one

Drug info:

PubChemData

Smile

C1CC(C(=O)C1)C2CCCN2CC3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations