Geometry & MOs

Info

ID:	46522
PubChem CID:	10524959
Reduced:	SO2N5H13C21 (1)
Stoich.:	AB2C5D13E21 (1)
Weight, g/mol:	154.135765
ΔH_f, kcal/mol:	169.89
Dipole, Da:	9.53
IP(EA), eV:	-9.52(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2/C(=C\C3=CC=C(C=C3)[N+](=O)[O-])/C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations