Geometry & MOs

Info

ID:	35990
PubChem CID:	7980604
Reduced:	NO2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	374.163043
ΔH_f, kcal/mol:	-93.48
Dipole, Da:	5.97
IP(EA), eV:	-8.31(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCCN3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations