Geometry & MOs

Info

ID:	10157
PubChem CID:	98317
Reduced:	BrC12H19 (1)
Stoich.:	AB12C19 (1)
Weight, g/mol:	242.06701
ΔH_f, kcal/mol:	-54.48
Dipole, Da:	3.51
IP(EA), eV:	-10.16(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3,5-dimethyladamantane

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)Br)C

DOS

IR

Vibrations