Geometry & MOs

Info

ID:	268566
PubChem CID:	103600031
Reduced:	BrION2C16H22 (1)
Stoich.:	ABCD2E16F22 (1)
Weight, g/mol:	436.94874
ΔH_f, kcal/mol:	-13.73
Dipole, Da:	3.09
IP(EA), eV:	-8.7(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-iodophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CN(C)C1(CCCCC1)CNC(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations