Geometry & MOs

Info

ID:	329621
PubChem CID:	126920373
Reduced:	N8C17H20 (1)
Stoich.:	A8B17C20 (1)
Weight, g/mol:	362.160357
ΔH_f, kcal/mol:	136.74
Dipole, Da:	7.84
IP(EA), eV:	-9.14(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=NC2=C(CCC2)C(=N1)NCC3CN(C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations