Geometry & MOs

Info

ID:	18738
PubChem CID:	547047
Reduced:	ClN3O3C27H28 (1)
Stoich.:	AB3C3D27E28 (1)
Weight, g/mol:	477.181919
ΔH_f, kcal/mol:	-0.73
Dipole, Da:	3.13
IP(EA), eV:	-8.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-chloro-1-hydroxyquinolin-4-ylidene)amino]-2-(diethylaminomethyl)-6-(2-methoxyphenyl)phenol

Drug info:

PubChemData

Smile

CCN(CC)CC1=C(C(=CC(=C1)N=C2C=CN(C3=C2C=CC(=C3)Cl)O)C4=CC=CC=C4OC)O

DOS

IR

Vibrations