Geometry & MOs

Info

ID:	156456
PubChem CID:	56370694
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	450.187875
ΔH_f, kcal/mol:	-70.66
Dipole, Da:	2.78
IP(EA), eV:	-8.15(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C(C)OC3=CC=CC(=C3)C#N

DOS

IR

Vibrations