Geometry & MOs

Info

ID:	427822
PubChem CID:	135163640
Reduced:	N2O5C25H34 (1)
Stoich.:	A2B5C25D34 (1)
Weight, g/mol:	288.245316
ΔH_f, kcal/mol:	-201.27
Dipole, Da:	3.67
IP(EA), eV:	-8.6(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclohexyloxypropan-2-yl)-4-(2-methylbutan-2-yl)benzene

Drug info:

PubChemData

Smile

CCC(=O)CCCN1CCN(C(C1)C(=O)O)C(=O)CC2=C(C(C3=C2C=C(C=C3)OC)C)C

DOS

IR

Vibrations