Geometry & MOs

Info

ID:	124532
PubChem CID:	50887149
Reduced:	O4N5H19C22 (1)
Stoich.:	A4B5C19D22 (1)
Weight, g/mol:	473.098978
ΔH_f, kcal/mol:	21.44
Dipole, Da:	9.77
IP(EA), eV:	-9.54(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(4E)-4-[(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)[N+](=O)[O-])NN=C2C(=C(C(=O)N(C2=O)CC3=CC=CC=C3)C#N)C

DOS

IR

Vibrations