Geometry & MOs

Info

ID:	165141
PubChem CID:	74505087
Reduced:	NO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	443.02426
ΔH_f, kcal/mol:	-118.95
Dipole, Da:	4.58
IP(EA), eV:	-8.5(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[4-[(2-bromo-4,5-dimethoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C=CC2=CC=CO2

DOS

IR

Vibrations