Geometry & MOs

Info

ID:	82353
PubChem CID:	49855926
Reduced:	O2C7H10 (3)
Stoich.:	A2B7C10 (3)
Weight, g/mol:	452.267508
ΔH_f, kcal/mol:	-271.51
Dipole, Da:	5.02
IP(EA), eV:	-9.98(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-benzyl-6-(2-ethoxy-2-oxoethyl)-1-[(1R)-1-phenylethyl]piperazin-2-yl]acetate

Drug info:

PubChemData

Smile

C[C@@]1([C@@H](CCC12OCCO2)[C@]34CC[C@](O3)(CC(=O)C4)CCCC=O)CC=O

DOS

IR

Vibrations