Geometry & MOs

Info

ID:	123019
PubChem CID:	50830677
Reduced:	FN6C19H21 (1)
Stoich.:	AB6C19D21 (1)
Weight, g/mol:	352.088164
ΔH_f, kcal/mol:	58.71
Dipole, Da:	2.89
IP(EA), eV:	-8.87(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(2-thiophen-3-ylpyridine-3-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC(=NC=N2)N3CCN(CC3)C4=CC=CC=C4F)C

DOS

IR

Vibrations