Geometry & MOs

Info

ID:	385738
PubChem CID:	134979871
Reduced:	AlC20H43 (1)
Stoich.:	AB20C43 (1)
Weight, g/mol:	275.131014
ΔH_f, kcal/mol:	-123.77
Dipole, Da:	0.13
IP(EA), eV:	-8.84(2.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-oxo-1-phenylcyclopentyl)methyl]benzonitrile

Drug info:

PubChemData

Smile

CCCCCCCC(C)(CCC)[Al](CC(C)C)CC(C)C

DOS

IR

Vibrations