Geometry & MOs

Info

ID:	329662
PubChem CID:	126920553
Reduced:	N7H17C18 (1)
Stoich.:	A7B17C18 (1)
Weight, g/mol:	328.139622
ΔH_f, kcal/mol:	174.23
Dipole, Da:	5.53
IP(EA), eV:	-9.31(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CN(C1CN(C1)C2=NN3C=NN=C3C=C2)C4=CC=NC5=CC=CC=C54

DOS

IR

Vibrations