Geometry & MOs

Info

ID:	268567
PubChem CID:	103600034
Reduced:	BrINO2C14H17 (1)
Stoich.:	ABCD2E14F17 (1)
Weight, g/mol:	327.04701
ΔH_f, kcal/mol:	-55.4
Dipole, Da:	2.96
IP(EA), eV:	-9.34(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1COC(CN1C(=O)C2=C(C=CC(=C2)Br)I)C

DOS

IR

Vibrations