Geometry & MOs

Info

ID:	277710
PubChem CID:	103830505
Reduced:	BrFNO3H11C14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	299.01571
ΔH_f, kcal/mol:	-117.63
Dipole, Da:	4.55
IP(EA), eV:	-8.83(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-hydroxyphenyl)-(3-methylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)F)NC(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations