Geometry & MOs

Info

ID:	196549
PubChem CID:	78846799
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	419.224263
ΔH_f, kcal/mol:	22.61
Dipole, Da:	3.04
IP(EA), eV:	-8.94(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpiperidin-4-yl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3CCN(CC3)C4CC4

DOS

IR

Vibrations