Geometry & MOs

Info

ID:	365516
PubChem CID:	127317943
Reduced:	ON3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	376.258674
ΔH_f, kcal/mol:	-62.88
Dipole, Da:	1.44
IP(EA), eV:	-8.56(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethoxy-6-methylpyrimidin-2-yl)-N-(1-ethylpiperidin-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)N2CCN(CC2)C3=NC=CC(=N3)OCC

DOS

IR

Vibrations