Geometry & MOs

Info

ID:	182294
PubChem CID:	76872223
Reduced:	BrNO4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	225.074956
ΔH_f, kcal/mol:	-135.22
Dipole, Da:	5.99
IP(EA), eV:	-9.18(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(6-oxo-3H-pyridazine-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)OC)NC(=O)C=CC1=C(C=CC(=C1)Br)OC

DOS

IR

Vibrations