Geometry & MOs

Info

ID:	365065
PubChem CID:	127316779
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	333.166411
ΔH_f, kcal/mol:	-90.68
Dipole, Da:	4.61
IP(EA), eV:	-8.64(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-6-(trifluoromethyl)piperidin-2-one

Drug info:

PubChemData

Smile

CCN1C2=C(C(=CC(=N2)C3CC3)C(=O)N4CC5CCCN5CC4C)C(=O)NC1=O

DOS

IR

Vibrations