Geometry & MOs

Info

ID:	368836
PubChem CID:	127330656
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-76.76
Dipole, Da:	2.92
IP(EA), eV:	-8.72(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-1-(4-methylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)CC2CCN(CC2)C3=NC(=CC(=N3)OC)C

DOS

IR

Vibrations