Geometry & MOs

Info

ID:	196877
PubChem CID:	78889154
Reduced:	ClO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	430.192629
ΔH_f, kcal/mol:	0.72
Dipole, Da:	5.72
IP(EA), eV:	-8.77(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butylsulfonyl-N-[2-(3-methylphenoxy)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=CC=CC=C2NC(=O)C3=NC(=NC=C3Cl)N4CCCC4

DOS

IR

Vibrations