Geometry & MOs

Info

ID:	148063
PubChem CID:	53787725
Reduced:	BrNOC21H22 (1)
Stoich.:	ABCD21E22 (1)
Weight, g/mol:	195.053158
ΔH_f, kcal/mol:	19.33
Dipole, Da:	2.37
IP(EA), eV:	-8.76(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,4-trihydroxy-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)CCC=C2C3=CC=CC=C3OCC4=C2C=C(C=C4)Br

DOS

IR

Vibrations