Geometry & MOs

Info

ID:	169087
PubChem CID:	75061716
Reduced:	NO5C32H39 (1)
Stoich.:	AB5C32D39 (1)
Weight, g/mol:	488.185983
ΔH_f, kcal/mol:	-151.68
Dipole, Da:	1.34
IP(EA), eV:	-8.44(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methylideneamino]-2-[2-(2-phenylpyrazol-3-yl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CC(COC1=CC=C(C=C1)C(C)(C)C)NCCC(C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations