Geometry & MOs

Info

ID:	327520
PubChem CID:	126690217
Reduced:	PO2C7H15 (1)
Stoich.:	AB2C7D15 (1)
Weight, g/mol:	244.128572
ΔH_f, kcal/mol:	-86.08
Dipole, Da:	1.13
IP(EA), eV:	-7.98(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(8E)-2-ethyl-8-ethylidene-6,7-dihydro-5H-naphthalen-1-yl]ethenethiol

Drug info:

PubChemData

Smile

CCCOP(#C)OCCC

DOS

IR

Vibrations