Geometry & MOs

Info

ID:	365133
PubChem CID:	127316890
Reduced:	OF2N2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-116.4
Dipole, Da:	4.64
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-oxopropan-2-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CC(=CC(=C3)F)F

DOS

IR

Vibrations