Geometry & MOs

Info

ID:	406013
PubChem CID:	135076283
Reduced:	O3H26C32 (1)
Stoich.:	A3B26C32 (1)
Weight, g/mol:	311.933404
ΔH_f, kcal/mol:	-26.7
Dipole, Da:	2.75
IP(EA), eV:	-8.94(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4,4-trichlorobut-3-en-1-ynylsulfanyl)naphthalene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(=O)CC(=O)OC(C2=CC=CC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations