Geometry & MOs

Info

ID:	201715
PubChem CID:	79570446
Reduced:	NOC15H25 (1)
Stoich.:	ABC15D25 (1)
Weight, g/mol:	290.12453
ΔH_f, kcal/mol:	-69.14
Dipole, Da:	3.48
IP(EA), eV:	-8.61(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-methyl-1-(2-methyl-1-propan-2-yloxypropan-2-yl)cyclohexane

Drug info:

PubChemData

Smile

C1CC2CCCN(C2C1)CCC3CCCC3=O

DOS

IR

Vibrations