Geometry & MOs

Info

ID:	345617
PubChem CID:	127269917
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	389.253923
ΔH_f, kcal/mol:	-70.99
Dipole, Da:	5.96
IP(EA), eV:	-9.14(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[acetyl(methyl)amino]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NC2CCN(CC2)CC3=CC=NC=C3

DOS

IR

Vibrations