Geometry & MOs

Info

ID:	163013
PubChem CID:	57581369
Reduced:	NF3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	473.173942
ΔH_f, kcal/mol:	-231.29
Dipole, Da:	1.76
IP(EA), eV:	-8.93(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanophenyl)-6-phenylpyridin-2-yl]-4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)C3=CC=C(C=C3)OC(F)(F)F)C

DOS

IR

Vibrations