Geometry & MOs

Info

ID:	65049
PubChem CID:	29204395
Reduced:	SN3O6C22H29 (1)
Stoich.:	AB3C6D22E29 (1)
Weight, g/mol:	417.03381
ΔH_f, kcal/mol:	-261.55
Dipole, Da:	6.5
IP(EA), eV:	-9.44(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-iodophenyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC2=C([C@@H](NC(=O)N2)C)C(=O)OCC

DOS

IR

Vibrations