Geometry & MOs

Info

ID:	139251
PubChem CID:	52498374
Reduced:	OF2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	376.104579
ΔH_f, kcal/mol:	-53.4
Dipole, Da:	7.07
IP(EA), eV:	-8.89(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(2-oxochromen-7-yl)oxy-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]ethanimidate

Drug info:

PubChemData

Smile

C1COCCN1[C@H](CNC2=C(C(=CC=C2)F)C#N)C3=CC=C(C=C3)F

DOS

IR

Vibrations