Geometry & MOs

Info

ID:	444730
PubChem CID:	135263390
Reduced:	NO2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-73.05
Dipole, Da:	3.45
IP(EA), eV:	-9.29(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-methyl-5-piperazin-1-ylphenyl)acetate

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(C)C(=O)N

DOS

IR

Vibrations