Geometry & MOs

Info

ID:	217866
PubChem CID:	85088509
Reduced:	N3O5H21C22 (1)
Stoich.:	A3B5C21D22 (1)
Weight, g/mol:	407.093977
ΔH_f, kcal/mol:	-53.86
Dipole, Da:	4.47
IP(EA), eV:	-9.2(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-hydroxyquinolin-5-yl)sulfonyl-5-methyl-4-[(4-methylphenyl)methylidene]pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)COC2=CC3=C(C=C2)OCC(C3O)CC4=CN=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations