Geometry & MOs

Info

ID:	388185
PubChem CID:	134988487
Reduced:	NC13H17 (1)
Stoich.:	AB13C17 (1)
Weight, g/mol:	229.88242
ΔH_f, kcal/mol:	19.3
Dipole, Da:	2.55
IP(EA), eV:	-9.43(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromoethynyl(pentafluoro)-lambda6-sulfane

Drug info:

PubChemData

Smile

CCC1=NCC(C1)(C)C2=CC=CC=C2

DOS

IR

Vibrations