Geometry & MOs

Info

ID:	59416
PubChem CID:	24857985
Reduced:	SN2H14C19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	516.135791
ΔH_f, kcal/mol:	119.42
Dipole, Da:	6.49
IP(EA), eV:	-8.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[(1-methylpyridin-1-ium-4-yl)amino]-N-[4-(quinolin-4-ylamino)phenyl]benzamide;dichloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)SC#N

DOS

IR

Vibrations