Geometry & MOs

Info

ID:	198654
PubChem CID:	79130809
Reduced:	SN4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	269.177964
ΔH_f, kcal/mol:	69.16
Dipole, Da:	3.25
IP(EA), eV:	-8.33(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-hydroxy-2-phenylcyclohexyl)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)SCC2=NC3=CC=CC=C3C(=N2)N)N

DOS

IR

Vibrations