Geometry & MOs

Info

ID:	342964
PubChem CID:	127266127
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	317.99776
ΔH_f, kcal/mol:	-28.79
Dipole, Da:	5.83
IP(EA), eV:	-9.71(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyano-3-iodopyrazol-1-yl)-N-propylacetamide

Drug info:

PubChemData

Smile

COC(=O)C1(CC1)CNC(=O)C2=NN3C=CC=NC3=C2

DOS

IR

Vibrations