Geometry & MOs

Info

ID:	199156
PubChem CID:	79208158
Reduced:	O2N4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	254.101505
ΔH_f, kcal/mol:	-26.26
Dipole, Da:	5.2
IP(EA), eV:	-9.06(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-2-[[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate

Drug info:

PubChemData

Smile

CNC(=O)C1=NN=C(C=C1)NCC(C2CC2)O

DOS

IR

Vibrations