Geometry & MOs

Info

ID:	70827
PubChem CID:	48413920
Reduced:	SO3N5C13H15 (1)
Stoich.:	AB3C5D13E15 (1)
Weight, g/mol:	405.135638
ΔH_f, kcal/mol:	-46.24
Dipole, Da:	6.96
IP(EA), eV:	-9.41(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2

DOS

IR

Vibrations