Geometry & MOs

Info

ID:	363925
PubChem CID:	127313582
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	291.180999
ΔH_f, kcal/mol:	-22.44
Dipole, Da:	4.43
IP(EA), eV:	-9.01(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpiperidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)C2=NNC3=C2CCC3)C

DOS

IR

Vibrations