Geometry & MOs

Info

ID:	73610
PubChem CID:	48419502
Reduced:	Cl2N3O4C18H19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	341.01752
ΔH_f, kcal/mol:	-118.24
Dipole, Da:	4.6
IP(EA), eV:	-8.99(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(4-fluoro-2-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)OC)OC)NC(=O)C(=O)NNC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations