Geometry & MOs

Info

ID:	136740
PubChem CID:	52092012
Reduced:	NO5H25C27 (1)
Stoich.:	AB5C25D27 (1)
Weight, g/mol:	497.145007
ΔH_f, kcal/mol:	-85.21
Dipole, Da:	5.17
IP(EA), eV:	-8.36(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenoxy)-9-[(1S)-1-phenylethyl]-2-(trifluoromethyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC4=C3CN(CO4)CCCC5=CC=CC=C5

DOS

IR

Vibrations