Geometry & MOs

Info

ID:	198649
PubChem CID:	79130599
Reduced:	NOC13H15 (1)
Stoich.:	ABC13D15 (1)
Weight, g/mol:	241.146664
ΔH_f, kcal/mol:	-14.74
Dipole, Da:	3.09
IP(EA), eV:	-9.34(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C#N)C1(CCCC2=CC=CC=C21)O

DOS

IR

Vibrations