Geometry & MOs

Info

ID:	365057
PubChem CID:	127316738
Reduced:	ON4C14H22 (1)
Stoich.:	AB4C14D22 (1)
Weight, g/mol:	268.160935
ΔH_f, kcal/mol:	-13.92
Dipole, Da:	5.28
IP(EA), eV:	-8.66(0.32)
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)-(thian-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)C3=CN(N=C3C)C

DOS

IR

Vibrations