Geometry & MOs

Info

ID:	321482
PubChem CID:	126666126
Reduced:	ClN4O4H23C25 (1)
Stoich.:	AB4C4D23E25 (1)
Weight, g/mol:	393.123718
ΔH_f, kcal/mol:	-23.73
Dipole, Da:	1.31
IP(EA), eV:	-8.5(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-5-[3-methyl-4-oxo-5-(pyridin-4-ylmethyl)-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Cl)N2C(=O)C3=C(C(=N2)C4=C(C=CC(=C4)NC(=O)C)OC)ON=C3C5CC5

DOS

IR

Vibrations