Geometry & MOs

Info

ID:	243138
PubChem CID:	99215909
Reduced:	FN2O3C26H33 (1)
Stoich.:	AB2C3D26E33 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-145.4
Dipole, Da:	4.96
IP(EA), eV:	-8.84(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(cyclopropylamino)-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H](CNC(=O)C2(CCOCC2)C3=CC=C(C=C3)F)N4CCCCC4

DOS

IR

Vibrations