Geometry & MOs

Info

ID:	354270
PubChem CID:	127286234
Reduced:	ON3C10H13 (2)
Stoich.:	AB3C10D13 (2)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-10.65
Dipole, Da:	1.5
IP(EA), eV:	-8.38(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridin-3-yl]-4-ethyl-4-methylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCN(CC2)C3=NC=C(C=C3)NC(=O)N4CCC(CC4)C#N

DOS

IR

Vibrations