Geometry & MOs

Info

ID:	297117
PubChem CID:	117609689
Reduced:	O3N7C28H31 (1)
Stoich.:	A3B7C28D31 (1)
Weight, g/mol:	481.222623
ΔH_f, kcal/mol:	6.76
Dipole, Da:	6.26
IP(EA), eV:	-8.94(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)C(C)(C)C#N)C3=CC(=NC(=N3)OC4CNC4)N5CCOCC5

DOS

IR

Vibrations