Geometry & MOs

Info

ID:	173286
PubChem CID:	75618458
Reduced:	NO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	300.056863
ΔH_f, kcal/mol:	-95.01
Dipole, Da:	9.17
IP(EA), eV:	-8.43(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=CC(=O)NC2=CC3=C(C=C2)OCC(=O)N3

DOS

IR

Vibrations