Geometry & MOs

Info

ID:	175889
PubChem CID:	75966228
Reduced:	C25H36 (1)
Stoich.:	A25B36 (1)
Weight, g/mol:	350.297351
ΔH_f, kcal/mol:	-11.24
Dipole, Da:	0.87
IP(EA), eV:	-8.76(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations