Geometry & MOs

Info

ID:	13817
PubChem CID:	398773
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-111.11
Dipole, Da:	4.54
IP(EA), eV:	-9.14(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,10-dimethyl-3,4,4a,10b-tetrahydro-2H-chromeno[3,4-e][1,3]oxazin-5-one

Drug info:

PubChemData

Smile

CC1=C2C3C(CNCO3)C(=O)OC2=C(C=C1)C

DOS

IR

Vibrations