Geometry & MOs

Info

ID:	399280
PubChem CID:	135039388
Reduced:	NSC17H17 (1)
Stoich.:	ABC17D17 (1)
Weight, g/mol:	183.125929
ΔH_f, kcal/mol:	52.74
Dipole, Da:	1.43
IP(EA), eV:	-8.42(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3E)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

Drug info:

PubChemData

Smile

CC(C1=CNC2=CC=CC=C21)SCC3=CC=CC=C3

DOS

IR

Vibrations