Geometry & MOs

Info

ID:	136742
PubChem CID:	52092378
Reduced:	NO8H25C29 (1)
Stoich.:	AB8C25D29 (1)
Weight, g/mol:	501.178752
ΔH_f, kcal/mol:	-210.88
Dipole, Da:	7.8
IP(EA), eV:	-9.02(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[9-[(2-methoxyphenyl)methyl]-2-methyl-4-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-3-yl]oxy]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC4=C3CN(CO4)CC5=CC6=C(C=C5)OCO6)C

DOS

IR

Vibrations