Geometry & MOs

Info

ID:	352542
PubChem CID:	127283630
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	362.166414
ΔH_f, kcal/mol:	-31.4
Dipole, Da:	2.09
IP(EA), eV:	-9.08(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylidenepiperidin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)N3CCC(=C)CC3

DOS

IR

Vibrations