Geometry & MOs

Info

ID:	365115
PubChem CID:	127316857
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-113.96
Dipole, Da:	5.47
IP(EA), eV:	-8.84(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CCNS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations