Geometry & MOs

Info

ID:	54248
PubChem CID:	16956804
Reduced:	O2F3N3H18C21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	436.130218
ΔH_f, kcal/mol:	-144.65
Dipole, Da:	3.85
IP(EA), eV:	-8.64(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2CC(CC2=O)C3=NC(=NO3)C4=CC=C(C=C4)C(F)(F)F)C

DOS

IR

Vibrations