Geometry & MOs

Info

ID:	127980
PubChem CID:	51025510
Reduced:	N4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	348.13953
ΔH_f, kcal/mol:	41.67
Dipole, Da:	2.21
IP(EA), eV:	-8.66(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,3R,5R,8S)-1,3-dimethyl-2-oxo-8-bicyclo[3.2.1]oct-6-enyl]ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@H]1C3=C2N=C(N=C3N)N

DOS

IR

Vibrations