Geometry & MOs

Info

ID:	378501
PubChem CID:	134224587
Reduced:	NSC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	184.14633
ΔH_f, kcal/mol:	-6.05
Dipole, Da:	0.73
IP(EA), eV:	-8.84(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethylbicyclo[3.3.1]nonane-1,3-diol

Drug info:

PubChemData

Smile

CCC(C)[C@H]1[C@@H](C1(C)C)C2=CSC(=N2)C3CCCC3

DOS

IR

Vibrations