Geometry & MOs

Info

ID:	155472
PubChem CID:	56365774
Reduced:	FO3N4C27H31 (1)
Stoich.:	AB3C4D27E31 (1)
Weight, g/mol:	397.216555
ΔH_f, kcal/mol:	-120.36
Dipole, Da:	4.48
IP(EA), eV:	-7.82(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)CCC3=NC=C(O3)C4=CC=CC=C4F

DOS

IR

Vibrations