Geometry & MOs

Info

ID:	24335
PubChem CID:	609372
Reduced:	NC19H19 (1)
Stoich.:	AB19C19 (1)
Weight, g/mol:	261.15175
ΔH_f, kcal/mol:	52.97
Dipole, Da:	4.26
IP(EA), eV:	-9.37(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-butyl-10H-anthracene-9-carbonitrile

Drug info:

PubChemData

Smile

CCCCC1(C2=CC=CC=C2CC3=CC=CC=C31)C#N

DOS

IR

Vibrations