Geometry & MOs

Info

ID:	63916
PubChem CID:	26759469
Reduced:	ClN2O5H19C20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	412.199822
ΔH_f, kcal/mol:	-144.64
Dipole, Da:	11.6
IP(EA), eV:	-8.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(3,4-dimethoxyphenyl)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)OC

DOS

IR

Vibrations