Geometry & MOs

Info

ID:	120685
PubChem CID:	50740055
Reduced:	OCl2N4H16C21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	419.06332
ΔH_f, kcal/mol:	46.58
Dipole, Da:	5.46
IP(EA), eV:	-8.56(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(5-bromopyridin-2-yl)amino]-phenylmethyl]-2-methylquinolin-8-ol

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C=CC(=C2O)C(C3=CC=CC=N3)NC4=C(C=C(C=N4)Cl)Cl

DOS

IR

Vibrations