Geometry & MOs

Info

ID:	150992
PubChem CID:	53790689
Reduced:	NSC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	145.970547
ΔH_f, kcal/mol:	18.23
Dipole, Da:	5.36
IP(EA), eV:	-8.57(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-thia-2,3-diazabicyclo[2.2.1]hepta-1,3-diene

Drug info:

PubChemData

Smile

CCC(=S)NC1=CC=CC=C1C

DOS

IR

Vibrations