Geometry & MOs

Info

ID:	83162
PubChem CID:	49857228
Reduced:	ON6H12C16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	430.00391
ΔH_f, kcal/mol:	118.02
Dipole, Da:	8.29
IP(EA), eV:	-8.96(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-iodophenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=CC=N2)NC(=O)C3=C4N=CC=CN4N=C3

DOS

IR

Vibrations