Geometry & MOs

Info

ID:	175890
PubChem CID:	75966229
Reduced:	C13H19 (2)
Stoich.:	A13B19 (2)
Weight, g/mol:	378.328651
ΔH_f, kcal/mol:	-18.9
Dipole, Da:	0.89
IP(EA), eV:	-8.85(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihexyl-6a-(1-phenylethenyl)-2,3,3a,4-tetrahydro-1H-pentalene

Drug info:

PubChemData

Smile

CCCCCCC1=C(C2(CCCC2C1)C(=C)C3=CC=CC=C3)CCCC

DOS

IR

Vibrations