Geometry & MOs

Info

ID:	341401
PubChem CID:	127264094
Reduced:	NO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	260.104859
ΔH_f, kcal/mol:	-48.67
Dipole, Da:	3.46
IP(EA), eV:	-9.0(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-ethyl-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)-2-oxoacetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)OC

DOS

IR

Vibrations