Geometry & MOs

Info

ID:	236240
PubChem CID:	92712000
Reduced:	NOC7H11 (3)
Stoich.:	ABC7D11 (3)
Weight, g/mol:	329.156184
ΔH_f, kcal/mol:	-145.47
Dipole, Da:	5.44
IP(EA), eV:	-8.65(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-(3-methylsulfanylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@H]1C2=CC=CN2CCN1C(=O)NCC3CCC(CC3)C(=O)OCC

DOS

IR

Vibrations