Geometry & MOs

Info

ID:	44262
PubChem CID:	10502262
Reduced:	ClNO2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	421.131408
ΔH_f, kcal/mol:	-111.79
Dipole, Da:	3.66
IP(EA), eV:	-8.65(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[(E)-3-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]prop-2-enoyl]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1)OC)OC)NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations