Geometry & MOs

Info

ID:	355484
PubChem CID:	127288547
Reduced:	OF2N2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-108.42
Dipole, Da:	4.58
IP(EA), eV:	-8.8(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations