Geometry & MOs

Info

ID:	261217
PubChem CID:	103222814
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	278.149124
ΔH_f, kcal/mol:	-99.76
Dipole, Da:	7.89
IP(EA), eV:	-9.67(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CN1C(=O)C=C(C=N1)OCCN

DOS

IR

Vibrations