Geometry & MOs

Info

ID:	329650
PubChem CID:	126920517
Reduced:	N3C8H12 (2)
Stoich.:	A3B8C12 (2)
Weight, g/mol:	334.165443
ΔH_f, kcal/mol:	98.46
Dipole, Da:	9.62
IP(EA), eV:	-9.25(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-amine

Drug info:

PubChemData

Smile

CN(CC1CCCCC1)C2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations