Geometry & MOs

Info

ID:	36026
PubChem CID:	7980657
Reduced:	NO3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	326.075451
ΔH_f, kcal/mol:	-77.93
Dipole, Da:	4.77
IP(EA), eV:	-8.91(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-difluorophenyl)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2)C

DOS

IR

Vibrations