Geometry & MOs

Info

ID:	355687
PubChem CID:	127289668
Reduced:	O2N5C19H29 (1)
Stoich.:	A2B5C19D29 (1)
Weight, g/mol:	374.243024
ΔH_f, kcal/mol:	-53.4
Dipole, Da:	6.59
IP(EA), eV:	-8.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations