Geometry & MOs

Info

ID:	124449
PubChem CID:	50883994
Reduced:	N3O4H11C17 (1)
Stoich.:	A3B4C11D17 (1)
Weight, g/mol:	462.074927
ΔH_f, kcal/mol:	-47.69
Dipole, Da:	1.6
IP(EA), eV:	-9.52(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C1=O)C=C(C=C2)C3=CC=C(O3)/C=C(\C#N)/C(=O)N

DOS

IR

Vibrations