Geometry & MOs

Info

ID:	283153
PubChem CID:	103961386
Reduced:	NO2C15H27 (1)
Stoich.:	AB2C15D27 (1)
Weight, g/mol:	274.12961
ΔH_f, kcal/mol:	-139.33
Dipole, Da:	6.54
IP(EA), eV:	-9.41(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-bromobutyl)-1,1,3,3-tetramethylcyclohexane

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)C)N2CCCC2C(=O)O)C

DOS

IR

Vibrations