Geometry & MOs

Info

ID:	371517
PubChem CID:	127346756
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	375.232205
ΔH_f, kcal/mol:	17.96
Dipole, Da:	4.52
IP(EA), eV:	-8.85(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)N3CCC(C3)CN4CCCC4)C

DOS

IR

Vibrations