Geometry & MOs

Info

ID:	12877
PubChem CID:	147489
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-96.2
Dipole, Da:	6.82
IP(EA), eV:	-8.72(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,6,7-tetramethyl-4H-furo[3,2-g][1,3]benzoxazin-2-one

Drug info:

PubChemData

Smile

CC1C2=C(C=C3C(=C2)C(=C(O3)C)C)OC(=O)N1C

DOS

IR

Vibrations