Geometry & MOs

Info

ID:	329669
PubChem CID:	126920573
Reduced:	SN8C15H16 (1)
Stoich.:	AB8C15D16 (1)
Weight, g/mol:	343.212058
ΔH_f, kcal/mol:	185.38
Dipole, Da:	7.43
IP(EA), eV:	-9.0(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-7-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]azepan-2-one

Drug info:

PubChemData

Smile

CN(CC1=CN2C=CSC2=N1)C3CN(C3)C4=NN5C=NN=C5C=C4

DOS

IR

Vibrations