Geometry & MOs

Info

ID:	326854
PubChem CID:	126688417
Reduced:	F4N4O4H22C23 (1)
Stoich.:	A4B4C4D22E23 (1)
Weight, g/mol:	317.96515
ΔH_f, kcal/mol:	-302.36
Dipole, Da:	3.24
IP(EA), eV:	-9.02(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-4-fluoro-5-nitrophenyl)morpholin-3-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1N3CCOCC3=O)N=C(N2CCCO)NC(=O)C4=CC(=CC(=C4)F)C(F)(F)F

DOS

IR

Vibrations