Geometry & MOs

Info

ID:	198690
PubChem CID:	79137332
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	263.131014
ΔH_f, kcal/mol:	-115.44
Dipole, Da:	5.47
IP(EA), eV:	-8.68(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[hydroxy-(4-methylphenyl)methyl]-2,3-dihydroindene-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C#N)C(C1=CC(=C(C=C1OC)OC)OC)O

DOS

IR

Vibrations