Geometry & MOs

Info

ID:	329623
PubChem CID:	126920378
Reduced:	N9C16H17 (1)
Stoich.:	A9B16C17 (1)
Weight, g/mol:	347.160692
ΔH_f, kcal/mol:	169.14
Dipole, Da:	8.32
IP(EA), eV:	-9.02(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C(=NC=N2)NCC3CN(C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations