Geometry & MOs

Info

ID:	47879
PubChem CID:	10535718
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-57.09
Dipole, Da:	2.39
IP(EA), eV:	-9.18(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2,1-benzoxazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)CCCN2

DOS

IR

Vibrations