Geometry & MOs

Info

ID:	70939
PubChem CID:	48414070
Reduced:	BrSO3N4C14H17 (1)
Stoich.:	ABC3D4E14F17 (1)
Weight, g/mol:	343.119988
ΔH_f, kcal/mol:	-65.6
Dipole, Da:	3.47
IP(EA), eV:	-9.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-chloro-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations