Geometry & MOs

Info

ID:	261216
PubChem CID:	103222776
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-66.4
Dipole, Da:	3.28
IP(EA), eV:	-9.43(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-butan-2-ylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations