Geometry & MOs

Info

ID:	399123
PubChem CID:	135038007
Reduced:	NO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	196.14633
ΔH_f, kcal/mol:	-140.94
Dipole, Da:	5.79
IP(EA), eV:	-9.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-3,4-dimethyladamantane-1,4-diol

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=O)OC(N1C2=CC=CC=C2C)C

DOS

IR

Vibrations