Geometry & MOs

Info

ID:	11782
PubChem CID:	120939
Reduced:	NOC13H18 (2)
Stoich.:	ABC13D18 (2)
Weight, g/mol:	408.277678
ΔH_f, kcal/mol:	-65.05
Dipole, Da:	3.05
IP(EA), eV:	-8.87(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,6-di(propan-2-yl)phenyl] 2-(4-benzylpiperazin-1-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)C(C)N2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations