Geometry & MOs

Info

ID:	12876
PubChem CID:	147488
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	231.089543
ΔH_f, kcal/mol:	-86.25
Dipole, Da:	6.79
IP(EA), eV:	-8.98(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6-trimethyl-4H-furo[3,2-g][1,3]benzoxazin-2-one

Drug info:

PubChemData

Smile

CC1C2=C(C=C3C(=C2)C(=CO3)C)OC(=O)N1C

DOS

IR

Vibrations