Geometry & MOs

Info

ID:	329644
PubChem CID:	126920497
Reduced:	N5C8H9 (2)
Stoich.:	A5B8C9 (2)
Weight, g/mol:	336.155941
ΔH_f, kcal/mol:	201.34
Dipole, Da:	8.13
IP(EA), eV:	-9.49(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1C)N(C)C3CN(C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations