Geometry & MOs

Info

ID:	362773
PubChem CID:	127309321
Reduced:	SO2N4C16H26 (1)
Stoich.:	AB2C4D16E26 (1)
Weight, g/mol:	269.156184
ΔH_f, kcal/mol:	-73.36
Dipole, Da:	3.67
IP(EA), eV:	-8.8(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(thian-4-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)NC3CCSCC3)C

DOS

IR

Vibrations