Geometry & MOs

Info

ID:	31689
PubChem CID:	856023
Reduced:	ClSN2O2C16H19 (1)
Stoich.:	ABC2D2E16F19 (1)
Weight, g/mol:	262.110613
ΔH_f, kcal/mol:	-26.28
Dipole, Da:	4.33
IP(EA), eV:	-9.09(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-phenylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CSC2=NN=C(O2)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations