Geometry & MOs

Info

ID:	18746
PubChem CID:	547240
Reduced:	ClN3O4C28H30 (1)
Stoich.:	AB3C4D28E30 (1)
Weight, g/mol:	507.192484
ΔH_f, kcal/mol:	-39.92
Dipole, Da:	3.0
IP(EA), eV:	-8.29(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-chloro-1-hydroxyquinolin-4-ylidene)amino]-2-(diethylaminomethyl)-6-(2,5-dimethoxyphenyl)phenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations