Geometry & MOs

Info

ID:	55904
PubChem CID:	17397253
Reduced:	ON4H14C16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	363.110673
ΔH_f, kcal/mol:	64.48
Dipole, Da:	1.59
IP(EA), eV:	-9.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)NCC3=CC=CC=N3

DOS

IR

Vibrations