Geometry & MOs

Info

ID:	48837
PubChem CID:	11528384
Reduced:	ON3C7H13 (1)
Stoich.:	AB3C7D13 (1)
Weight, g/mol:	155.131014
ΔH_f, kcal/mol:	-34.78
Dipole, Da:	4.42
IP(EA), eV:	-9.59(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1C=NNC(=O)N1

DOS

IR

Vibrations