Geometry & MOs

Info

ID:	297011
PubChem CID:	117605666
Reduced:	BrFNO3H11C13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	342.149715
ΔH_f, kcal/mol:	-127.25
Dipole, Da:	5.44
IP(EA), eV:	-10.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-diphenylphosphoryl-5-ethoxy-6-methyl-1,2,3,6-tetrahydropyrazine

Drug info:

PubChemData

Smile

CC1=CN=C(O1)C(CC(=O)O)C2=CC(=CC(=C2)Br)F

DOS

IR

Vibrations