Geometry & MOs

Info

ID:	260222
PubChem CID:	103185157
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	391.02805
ΔH_f, kcal/mol:	-53.95
Dipole, Da:	4.14
IP(EA), eV:	-9.32(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-iodo-4-[2-(3-methoxypropoxy)ethyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

COCCCOCCC1(CNC1)C2=CC=C(C=C2)Br

DOS

IR

Vibrations