Geometry & MOs

Info

ID:	276661
PubChem CID:	103824619
Reduced:	BrFNOCl2H7C13 (1)
Stoich.:	ABCDE2F7G13 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-49.16
Dipole, Da:	5.58
IP(EA), eV:	-9.22(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)Cl)C(=O)NC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations