Geometry & MOs

Info

ID:	216872
PubChem CID:	85086905
Reduced:	O2C21H26 (1)
Stoich.:	A2B21C26 (1)
Weight, g/mol:	310.069737
ΔH_f, kcal/mol:	-19.9
Dipole, Da:	3.05
IP(EA), eV:	-8.39(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-dithian-2-ylidene)propan-1-ol

Drug info:

PubChemData

Smile

CCOC1=C2C3CCC(C2=C(C4=C1C5CCC4C5)OCC)C=C3

DOS

IR

Vibrations