Geometry & MOs

Info

ID:	355662
PubChem CID:	127289627
Reduced:	O2N6C17H28 (1)
Stoich.:	A2B6C17D28 (1)
Weight, g/mol:	390.237939
ΔH_f, kcal/mol:	-44.97
Dipole, Da:	6.24
IP(EA), eV:	-8.77(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-(2-oxopyrimidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CN2CCC(CC2)N(C)C(=O)C3=CC=NN3

DOS

IR

Vibrations