Geometry & MOs

Info

ID:	341403
PubChem CID:	127264096
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	274.120509
ΔH_f, kcal/mol:	-52.61
Dipole, Da:	3.38
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-oxo-2-(1-oxo-6-propyl-3,4-dihydro-2H-naphthalen-2-yl)acetate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C(=O)OC

DOS

IR

Vibrations