Geometry & MOs

Info

ID:	312719
PubChem CID:	126607575
Reduced:	ClFN7H17C20 (1)
Stoich.:	ABC7D17E20 (1)
Weight, g/mol:	251.094629
ΔH_f, kcal/mol:	137.25
Dipole, Da:	4.98
IP(EA), eV:	-8.23(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxyphenyl)-1-methylquinolin-2-one

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CC=C(C=C2)F)C3=NN(C(=N)C=C3)/C=C/C4=C(N(N=C4)C)Cl

DOS

IR

Vibrations