Geometry & MOs

Info

ID:	365478
PubChem CID:	127317897
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	336.161997
ΔH_f, kcal/mol:	10.41
Dipole, Da:	7.02
IP(EA), eV:	-8.76(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-(thiophene-2-carbonylamino)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

DOS

IR

Vibrations