Geometry & MOs

Info

ID:	261218
PubChem CID:	103222861
Reduced:	ON3C6H9 (2)
Stoich.:	AB3C6D9 (2)
Weight, g/mol:	264.133474
ΔH_f, kcal/mol:	1.9
Dipole, Da:	2.71
IP(EA), eV:	-9.58(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminopropoxy)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)N1C(=NC=N1)CN2C(=O)C=C(C=N2)OCCN

DOS

IR

Vibrations