Geometry & MOs

Info

ID:	54495
PubChem CID:	17388774
Reduced:	ClOS2N3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	418.06808
ΔH_f, kcal/mol:	45.77
Dipole, Da:	7.79
IP(EA), eV:	-8.46(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-bromophenyl)-(4-methylanilino)methyl]quinolin-8-ol

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CNC3=CC(=CC=C3)Cl

DOS

IR

Vibrations