Geometry & MOs

Info

ID:	80581
PubChem CID:	49835270
Reduced:	ON5H19C21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	485.192386
ΔH_f, kcal/mol:	98.04
Dipole, Da:	6.36
IP(EA), eV:	-8.48(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[6-[[5-(2-methoxyethoxy)pyridazin-3-yl]amino]-2-methylpyrimidin-4-yl]imidazo[1,2-b]pyridazin-2-yl]amino]phenol

Drug info:

PubChemData

Smile

CC1=CN(C2=CC=CC=C12)CCC(=O)N/N=C/C3=CC4=C(C=C3)N=NC=C4

DOS

IR

Vibrations