Geometry & MOs

Info

ID:	124293
PubChem CID:	50877080
Reduced:	SC5N5H7 (1)
Stoich.:	AB5C5D7 (1)
Weight, g/mol:	231.08079
ΔH_f, kcal/mol:	81.34
Dipole, Da:	8.15
IP(EA), eV:	-8.44(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-fluoro-1,2,3,4-tetrahydro-[1,4]diazepino[6,5-c]quinolin-5-one

Drug info:

PubChemData

Smile

C1=C2C(NC(=S)N=C2NN1)N

DOS

IR

Vibrations