Geometry & MOs

Info

ID:	357675
PubChem CID:	127294349
Reduced:	ON2C8H14 (2)
Stoich.:	AB2C8D14 (2)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	-70.74
Dipole, Da:	4.45
IP(EA), eV:	-8.6(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxopyrrolidin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC(=O)NC1CC1)N2CCN3CCCC3C2

DOS

IR

Vibrations