Geometry & MOs

Info

ID:	22961
PubChem CID:	600139
Reduced:	ClNOF2C14H16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	287.088848
ΔH_f, kcal/mol:	-139.71
Dipole, Da:	4.34
IP(EA), eV:	-9.56(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4,5-difluorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCC(N1C(=O)C2=CC(=C(C=C2Cl)F)F)C

DOS

IR

Vibrations