Geometry & MOs

Info

ID:	63748
PubChem CID:	26759088
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-149.61
Dipole, Da:	5.31
IP(EA), eV:	-8.09(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations