Geometry & MOs

Info

ID:	383497
PubChem CID:	134975248
Reduced:	BrO2N3H10C13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	547.116778
ΔH_f, kcal/mol:	10.71
Dipole, Da:	6.99
IP(EA), eV:	-9.54(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine

Drug info:

PubChemData

Smile

COC1=C(C(=NC(=N1)OC)Br)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations