Geometry & MOs

Info

ID:	360548
PubChem CID:	127301193
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	375.238273
ΔH_f, kcal/mol:	-111.29
Dipole, Da:	1.43
IP(EA), eV:	-8.73(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NCC(=O)N3CCOCC3

DOS

IR

Vibrations