Geometry & MOs

Info

ID:	326391
PubChem CID:	126687456
Reduced:	NOC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	183.125929
ΔH_f, kcal/mol:	-4.6
Dipole, Da:	3.32
IP(EA), eV:	-9.75(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-[(1R,2R,4R)-2-hydroxy-4-methylcyclohexyl]propanenitrile

Drug info:

PubChemData

Smile

C=CC1=C2CC[C@H](C2=NC=C1)O

DOS

IR

Vibrations