Geometry & MOs

Info

ID:	245583
PubChem CID:	99455447
Reduced:	SO3N4C25H36 (1)
Stoich.:	AB3C4D25E36 (1)
Weight, g/mol:	387.146203
ΔH_f, kcal/mol:	-113.03
Dipole, Da:	5.58
IP(EA), eV:	-8.27(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorobenzoyl)-N-[2-(pyrazin-2-ylamino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)CCNC(=O)CCNS(=O)(=O)C3=C(C=C(C=C3C)C)C

DOS

IR

Vibrations