Geometry & MOs

Info

ID:	45568
PubChem CID:	10515018
Reduced:	NO5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	-184.16
Dipole, Da:	1.7
IP(EA), eV:	-9.55(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2,3-dihydro-1,4-benzoxazine-2-carbaldehyde

Drug info:

PubChemData

Smile

CC(C(/C=C/C1=COC=N1)OC(=O)C)OC(=O)C

DOS

IR

Vibrations