Geometry & MOs

Info

ID:	128428
PubChem CID:	51043388
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-66.13
Dipole, Da:	3.87
IP(EA), eV:	-8.56(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]methyl]cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

COCC1=NC2=C(N1)C=C(C=C2)NC(=O)CCC3=CC=C(C=C3)OC

DOS

IR

Vibrations