Geometry & MOs

Info

ID:	207031
PubChem CID:	80336557
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	266.13789
ΔH_f, kcal/mol:	6.79
Dipole, Da:	2.13
IP(EA), eV:	-8.86(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(dimethylcarbamoyl)pyridazin-3-yl]-ethylamino]propanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)CN(CCCN)C2CC2

DOS

IR

Vibrations