Geometry & MOs

Info

ID:	229537
PubChem CID:	87567968
Reduced:	BrNPF2O3C13H15 (1)
Stoich.:	ABCD2E3F13G15 (1)
Weight, g/mol:	534.589309
ΔH_f, kcal/mol:	-256.43
Dipole, Da:	2.08
IP(EA), eV:	-9.97(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,1,1,2,2,3,3,4,4,5,5,5-tridecachloropentan-1-amine

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=C(C=C(C=C1)CC#N)Br)(F)F)O

DOS

IR

Vibrations