Geometry & MOs

Info

ID:	329613
PubChem CID:	126920339
Reduced:	SN7C16H19 (1)
Stoich.:	AB7C16D19 (1)
Weight, g/mol:	325.176342
ΔH_f, kcal/mol:	130.34
Dipole, Da:	8.95
IP(EA), eV:	-8.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N-dimethyl-4-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)NCC3CN(C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations