Geometry & MOs

Info

ID:	57606
PubChem CID:	22426140
Reduced:	N3O5H17C21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	337.095023
ΔH_f, kcal/mol:	-47.32
Dipole, Da:	4.88
IP(EA), eV:	-7.83(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)benzoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C2C=C(C3=C(NNC3=N2)C4=CC=CC=C4)C(=O)O)C=C(C1=O)OC

DOS

IR

Vibrations