Geometry & MOs

Info

ID:	171878
PubChem CID:	75436395
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	6.74
Dipole, Da:	4.12
IP(EA), eV:	-8.38(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-benzyl-2-methyl-1,4-diazepan-1-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C1CN(CCO1)C)NC2=NC3=CC=CC=C3C(=N2)N

DOS

IR

Vibrations