Geometry & MOs

Info

ID:	362295
PubChem CID:	127307317
Reduced:	ON3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	344.23246
ΔH_f, kcal/mol:	-60.68
Dipole, Da:	3.45
IP(EA), eV:	-8.5(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1CN(CC(O1)C)C(=O)NCCN2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations