Geometry & MOs

Info

ID:	341415
PubChem CID:	127264108
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	290.115424
ΔH_f, kcal/mol:	-72.39
Dipole, Da:	3.36
IP(EA), eV:	-9.01(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=CC2=C(C=C1)C3=C(CCC2)C(=NO3)C(=O)OC

DOS

IR

Vibrations