Geometry & MOs

Info

ID:	442648
PubChem CID:	135253633
Reduced:	OPC26H26 (1)
Stoich.:	ABC26D26 (1)
Weight, g/mol:	208.029107
ΔH_f, kcal/mol:	48.23
Dipole, Da:	7.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.939600
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(E)-2-(5-methylfuran-2-yl)ethenyl]furan

Drug info:

PubChemData

Smile

CCC1=C(OC(=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations