Geometry & MOs

Info

ID:	233256
PubChem CID:	89449529
Reduced:	O2S2N5H11C18 (1)
Stoich.:	A2B2C5D11E18 (1)
Weight, g/mol:	363.180758
ΔH_f, kcal/mol:	59.22
Dipole, Da:	5.25
IP(EA), eV:	-8.98(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-amino-4-[1-(2-cyano-1-cyclopentylethyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-3-yl]formamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=O)N2CC(=O)NC3=C(C(=CS3)C#N)C4=NC=CS4)N=C1

DOS

IR

Vibrations