Geometry & MOs

Info

ID:	198652
PubChem CID:	79130676
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	243.162314
ΔH_f, kcal/mol:	-23.77
Dipole, Da:	4.35
IP(EA), eV:	-9.01(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-1-phenylpropan-2-yl)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC(C1)(C#N)C2(CCN(C2)C3CC3)O

DOS

IR

Vibrations