Geometry & MOs

Info

ID:	377852
PubChem CID:	134223917
Reduced:	ON3H19C28 (1)
Stoich.:	AB3C19D28 (1)
Weight, g/mol:	415.168462
ΔH_f, kcal/mol:	123.48
Dipole, Da:	4.57
IP(EA), eV:	-8.5(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[8-(methylideneamino)-7-[(Z)-prop-1-enyl]quinolin-2-yl]phenyl]quinolin-8-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C3C(=C(C=C2)C4=NC5=C(C=CC6=C5N=CC=C6)C=C4)C=CC=N3

DOS

IR

Vibrations