Geometry & MOs

Info

ID:	205363
PubChem CID:	80092141
Reduced:	BrClFON2H9C13 (1)
Stoich.:	ABCDE2F9G13 (1)
Weight, g/mol:	356.00395
ΔH_f, kcal/mol:	-42.4
Dipole, Da:	8.39
IP(EA), eV:	-8.99(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(3-bromo-4-chlorophenyl)-5-ethyl-2-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)NC2=CC(=C(C=C2)Cl)Br)F)N

DOS

IR

Vibrations