Geometry & MOs

Info

ID:	24139
PubChem CID:	608038
Reduced:	C9H13 (2)
Stoich.:	A9B13 (2)
Weight, g/mol:	242.203451
ΔH_f, kcal/mol:	-35.91
Dipole, Da:	0.45
IP(EA), eV:	-8.49(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-butyl-1,2,3,4,5,6,7,8-octahydrophenanthrene

Drug info:

PubChemData

Smile

CCCCC1=C2CCCCC2=C3CCCCC3=C1

DOS

IR

Vibrations