Geometry & MOs

Info

ID:	30009
PubChem CID:	838876
Reduced:	OCl2N4H8C15 (1)
Stoich.:	AB2C4D8E15 (1)
Weight, g/mol:	278.039295
ΔH_f, kcal/mol:	56.11
Dipole, Da:	9.12
IP(EA), eV:	-9.5(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-chloro-6-methylquinolin-3-yl)methylideneamino]thiourea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=O)C3=NN=C(N23)C4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations