Geometry & MOs

Info

ID:	329620
PubChem CID:	126920369
Reduced:	SN7C13H15 (1)
Stoich.:	AB7C13D15 (1)
Weight, g/mol:	336.181093
ΔH_f, kcal/mol:	141.83
Dipole, Da:	7.33
IP(EA), eV:	-8.96(-1.14)
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]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NCC2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations