Geometry & MOs

Info

ID:	365113
PubChem CID:	127316855
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	-20.73
Dipole, Da:	3.31
IP(EA), eV:	-8.72(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-oxopropyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CC=CN3

DOS

IR

Vibrations