Geometry & MOs

Info

ID:	216272
PubChem CID:	85085972
Reduced:	SN6C10H12 (1)
Stoich.:	AB6C10D12 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	119.48
Dipole, Da:	4.02
IP(EA), eV:	-8.92(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6,6-trimethyl-4-oxo-1-bicyclo[3.1.1]hept-2-enyl) 2-methylbut-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(NC2=CC=CN2)NNC(=S)N)N=C1

DOS

IR

Vibrations