Geometry & MOs

Info

ID:	64030
PubChem CID:	26759714
Reduced:	ClN2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-108.2
Dipole, Da:	10.14
IP(EA), eV:	-9.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations