Geometry & MOs

Info

ID:	341433
PubChem CID:	127264126
Reduced:	NO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	292.094688
ΔH_f, kcal/mol:	7.41
Dipole, Da:	2.63
IP(EA), eV:	-9.25(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(9-methoxy-6-oxo-2,3,4,5-tetrahydro-1-benzoxocin-5-yl)-2-oxoacetate

Drug info:

PubChemData

Smile

COC(=O)C1=NOC2=C1CCCCC3=CC=CC=C32

DOS

IR

Vibrations