Geometry & MOs

Info

ID:	329624
PubChem CID:	126920384
Reduced:	N9C17H17 (1)
Stoich.:	A9B17C17 (1)
Weight, g/mol:	333.145042
ΔH_f, kcal/mol:	180.5
Dipole, Da:	4.34
IP(EA), eV:	-9.4(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=N2)C(=N1)NCC3CN(C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations