Geometry & MOs

Info

ID:	205302
PubChem CID:	80083144
Reduced:	ClNOSBr2H8C12 (1)
Stoich.:	ABCDE2F8G12 (1)
Weight, g/mol:	340.99305
ΔH_f, kcal/mol:	10.41
Dipole, Da:	5.48
IP(EA), eV:	-9.09(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-4-chlorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NC2=CC(=C(C=C2)Cl)Br)Br

DOS

IR

Vibrations