Geometry & MOs

Info

ID:	368523
PubChem CID:	127329345
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	395.200905
ΔH_f, kcal/mol:	-65.21
Dipole, Da:	5.25
IP(EA), eV:	-8.78(-0.12)
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]pyrazine-2-carbonyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1CC1C(=O)NC2=CC=CC(=C2)C(=O)N3CC4CCCCN4CC3C

DOS

IR

Vibrations