Geometry & MOs

Info

ID:	124447
PubChem CID:	50883981
Reduced:	N3O4C16H17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	356.056385
ΔH_f, kcal/mol:	7.74
Dipole, Da:	4.87
IP(EA), eV:	-8.79(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(4Z)-4-[(3-hydroxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)C3=CC=C(O3)/C=N/O)[N+](=O)[O-]

DOS

IR

Vibrations