Geometry & MOs

Info

ID:	367315
PubChem CID:	127324099
Reduced:	ON5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	375.238273
ΔH_f, kcal/mol:	-6.55
Dipole, Da:	2.97
IP(EA), eV:	-9.01(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-methyl-1-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)NC3CCN(CC3)CC4=CC=NC=C4

DOS

IR

Vibrations