Geometry & MOs

Info

ID:	138155
PubChem CID:	52319358
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	388.130874
ΔH_f, kcal/mol:	-77.43
Dipole, Da:	4.29
IP(EA), eV:	-10.01(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(3S)-1-[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C1=CC=NC=C1

DOS

IR

Vibrations