Geometry & MOs

Info

ID:	155955
PubChem CID:	56368478
Reduced:	IN3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	405.112316
ΔH_f, kcal/mol:	-48.96
Dipole, Da:	4.29
IP(EA), eV:	-8.73(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-tert-butyl-1H-pyrazol-3-yl)-5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NN1)NC(=O)C2=CC(=C(C=C2I)OC)OC

DOS

IR

Vibrations