Geometry & MOs

Info

ID:	293248
PubChem CID:	117378582
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-124.51
Dipole, Da:	5.33
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(3-oxo-4H-1,4-benzoxazin-5-yl)butanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C#N)C(CCC(=O)O)N)O

DOS

IR

Vibrations