Geometry & MOs

Info

ID:	402844
PubChem CID:	135057479
Reduced:	BrOSN2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	289.128676
ΔH_f, kcal/mol:	47.38
Dipole, Da:	3.52
IP(EA), eV:	-9.09(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[methyl(diphenyl)silyl]hex-5-ynenitrile

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=NC(=CO2)C3=CC=C(C=C3)Br)C

DOS

IR

Vibrations