Geometry & MOs

Info

ID:	55511
PubChem CID:	17395486
Reduced:	SN3O4H11C16 (1)
Stoich.:	AB3C4D11E16 (1)
Weight, g/mol:	357.143704
ΔH_f, kcal/mol:	-54.99
Dipole, Da:	6.3
IP(EA), eV:	-9.29(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-2-nitrophenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCN3C(=O)OC(=N3)C4=CC=CS4

DOS

IR

Vibrations