Geometry & MOs

Info

ID:	233274
PubChem CID:	89449606
Reduced:	BOSCl2F3H18C24 (1)
Stoich.:	ABCD2E3F18G24 (1)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	-77.99
Dipole, Da:	5.81
IP(EA), eV:	-8.57(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-(1-ethoxyethyl)pyrazol-4-yl]-6-(methylamino)pyrrolo[1,2-b]pyridazin-3-yl]formamide

Drug info:

PubChemData

Smile

[B]C1=C(C=C(C=C1)C(=O)CC(C2=CC(=CC(=C2)Cl)Cl)(C(F)(F)F)SCC3=CC=CC=C3)C

DOS

IR

Vibrations