Geometry & MOs

Info

ID:	295657
PubChem CID:	117541575
Reduced:	NOH3C4 (3)
Stoich.:	ABC3D4 (3)
Weight, g/mol:	260.079707
ΔH_f, kcal/mol:	-44.97
Dipole, Da:	3.83
IP(EA), eV:	-8.6(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazol-5-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C3=C(OC(=N3)N)C(=O)O

DOS

IR

Vibrations