Geometry & MOs

Info

ID:	145365
PubChem CID:	53510618
Reduced:	BrFO2N3C17H23 (1)
Stoich.:	ABC2D3E17F23 (1)
Weight, g/mol:	301.03136
ΔH_f, kcal/mol:	-124.43
Dipole, Da:	2.71
IP(EA), eV:	-8.73(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-2,5-dimethylfuran-3-yl)-(2-methylmorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C(=O)CCNC(=O)C2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations