Geometry & MOs

Info

ID:	222502
PubChem CID:	85300934
Reduced:	C17H21 (1)
Stoich.:	A17B21 (1)
Weight, g/mol:	346.250795
ΔH_f, kcal/mol:	48.49
Dipole, Da:	0.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.866532
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(dimethoxymethyl)-8,12-dimethyltrideca-3,7,11-trienyl]furan

Drug info:

PubChemData

Smile

CCCCCC(C1=CC=CC=C1)[C]2[CH][CH][CH][CH]2

DOS

IR

Vibrations