Geometry & MOs

Info

ID:	428614
PubChem CID:	135167794
Reduced:	SO3N4C34H42 (1)
Stoich.:	AB3C4D34E42 (1)
Weight, g/mol:	314.256943
ΔH_f, kcal/mol:	-71.66
Dipole, Da:	2.85
IP(EA), eV:	-8.41(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-[2-[2-[4-(2-methylpropyl)piperazin-1-yl]ethoxy]ethoxy]butan-2-one

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC(=C(C=C2)CNC(=O)C3C[C@H](CN3C(=O)[C@H](C(C)C)N4CC5=CC=CC=C5C4=C)O)C(C)(C)C

DOS

IR

Vibrations