Geometry & MOs

Info

ID:	358822
PubChem CID:	127296690
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	275.149699
ΔH_f, kcal/mol:	-28.67
Dipole, Da:	5.78
IP(EA), eV:	-9.12(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylidenepiperidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C=C(C=N2)C(=O)N3CCC(=C)CC3)C(=O)N4CCC(=C)CC4

DOS

IR

Vibrations