Geometry & MOs

Info

ID:	292875
PubChem CID:	117362237
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	244.084792
ΔH_f, kcal/mol:	-64.48
Dipole, Da:	4.64
IP(EA), eV:	-8.69(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-isocyanatocyclobutyl)-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)C3=NNC(=C3)C(=O)O

DOS

IR

Vibrations