Geometry & MOs

Info

ID:	331231
PubChem CID:	127248638
Reduced:	FO3N4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-97.07
Dipole, Da:	7.13
IP(EA), eV:	-8.63(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1-benzofuran-2-carbonyl)pyrrolidin-3-yl]-N-(2-methylpropyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)F)C=C1C(=O)N3CCC(C3)C4=C(C=CC=N4)C(=O)N5CCOCC5

DOS

IR

Vibrations