Geometry & MOs

Info

ID:	233520
PubChem CID:	91145231
Reduced:	FS2N6H11C14 (1)
Stoich.:	AB2C6D11E14 (1)
Weight, g/mol:	96.081324
ΔH_f, kcal/mol:	96.73
Dipole, Da:	2.41
IP(EA), eV:	-8.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methyl-1-azoniatricyclo[3.1.0.01,3]hexane

Drug info:

PubChemData

Smile

CC1=NN2C(=NN=C2SC3=C(C=C4C(=C3)SC(=N4)NC)F)C=C1

DOS

IR

Vibrations