Geometry & MOs

Info

ID:	368527
PubChem CID:	127329349
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	347.200905
ΔH_f, kcal/mol:	41.0
Dipole, Da:	4.78
IP(EA), eV:	-8.71(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CC1CN2CCCCC2CN1C(=O)C3=NC4=C(C=C3)C(=NN4C5=CC=CC=C5)C

DOS

IR

Vibrations