Geometry & MOs

Info

ID:	146656
PubChem CID:	53726136
Reduced:	NOSH13C14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	397.053087
ΔH_f, kcal/mol:	60.67
Dipole, Da:	3.34
IP(EA), eV:	-8.67(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-7-(2-chlorothiophen-3-yl)-5-[2-(diaminomethyl)hydrazinyl]-1,4-dimethylquinolin-2-one

Drug info:

PubChemData

Smile

C=CC1=CC=CC=C1CSC2=CC=CC=[N+]2[O-]

DOS

IR

Vibrations