Geometry & MOs

Info

ID:	49106
PubChem CID:	11528717
Reduced:	N2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	29.01
Dipole, Da:	4.04
IP(EA), eV:	-8.77(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-1-ol

Drug info:

PubChemData

Smile

CCN1CCC(CC1)C2=CC=CC(=C2C)C#N

DOS

IR

Vibrations