Geometry & MOs

Info

ID:	80596
PubChem CID:	49835365
Reduced:	SN4O5C25H26 (1)
Stoich.:	AB4C5D25E26 (1)
Weight, g/mol:	368.149793
ΔH_f, kcal/mol:	-138.75
Dipole, Da:	9.66
IP(EA), eV:	-8.93(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(6-amino-2-methylpyrimidin-4-yl)imidazo[1,2-b]pyridazin-2-yl]isoquinolin-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C2C(=C1OC)C=C(C=N2)C3=CC=C(C=C3)NS(=O)(=O)C)N4C=CC(=O)NC4=O

DOS

IR

Vibrations