Geometry & MOs

Info

ID:	357673
PubChem CID:	127294347
Reduced:	FON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-5.52
Dipole, Da:	2.48
IP(EA), eV:	-9.04(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CN2CCN3CCCC3C2)C4=CC=CC=C4F

DOS

IR

Vibrations