Geometry & MOs

Info

ID:	448310
PubChem CID:	135290047
Reduced:	NO5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	338.090272
ΔH_f, kcal/mol:	-162.3
Dipole, Da:	3.98
IP(EA), eV:	-8.8(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CN(C)CCOC1=C(C=CC(=C1OC)OC)/C=C/C(=O)OC

DOS

IR

Vibrations