Geometry & MOs

Info

ID:	329610
PubChem CID:	126920294
Reduced:	ON8C14H16 (1)
Stoich.:	AB8C14D16 (1)
Weight, g/mol:	399.111359
ΔH_f, kcal/mol:	114.42
Dipole, Da:	7.47
IP(EA), eV:	-9.31(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2-benzoxazol-3-yl)-N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1)NCC2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations