Geometry & MOs

Info

ID:	216037
PubChem CID:	85085614
Reduced:	OC15H20 (1)
Stoich.:	AB15C20 (1)
Weight, g/mol:	216.064257
ΔH_f, kcal/mol:	-27.33
Dipole, Da:	2.55
IP(EA), eV:	-9.3(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dithian-2-ylidenemethyl)pent-4-en-1-ol

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C(C)(C(=C)C)C(=O)C

DOS

IR

Vibrations