Geometry & MOs

Info

ID:	365575
PubChem CID:	127318068
Reduced:	FON5C21H28 (1)
Stoich.:	ABC5D21E28 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-41.92
Dipole, Da:	3.16
IP(EA), eV:	-8.81(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NC3CCCN(C3)C4=C(C=C(C=C4)C#N)F

DOS

IR

Vibrations