Geometry & MOs

Info

ID:	207044
PubChem CID:	80337443
Reduced:	ClON2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	238.10659
ΔH_f, kcal/mol:	-11.07
Dipole, Da:	1.63
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCNC(C)C1=CC(=NC=C1)OCC2=CC=CC=C2Cl

DOS

IR

Vibrations