Geometry & MOs

Info

ID:	53449
PubChem CID:	14716060
Reduced:	BrOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	306.06193
ΔH_f, kcal/mol:	-45.76
Dipole, Da:	3.5
IP(EA), eV:	-9.5(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromophenyl)adamantan-1-ol

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)C3(C4=CC(=CC=C4)Br)O

DOS

IR

Vibrations