Geometry & MOs

Info

ID:	233254
PubChem CID:	89449518
Reduced:	OSCl2F3N3H22C25 (1)
Stoich.:	ABC2D3E3F22G25 (1)
Weight, g/mol:	391.175673
ΔH_f, kcal/mol:	-119.73
Dipole, Da:	5.54
IP(EA), eV:	-8.53(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]-3-formamidopyrrolo[1,2-b]pyridazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NSC(C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)C(=O)NCC(=C)/C=C\C=C/N

DOS

IR

Vibrations