Geometry & MOs

Info

ID:	408422
PubChem CID:	135081188
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	289.949055
ΔH_f, kcal/mol:	-70.88
Dipole, Da:	1.76
IP(EA), eV:	-8.72(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethyl-2-(3,4,4-trichlorobut-3-en-1-ynylsulfanyl)benzene

Drug info:

PubChemData

Smile

CC1(CCCC1=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations