Geometry & MOs

Info

ID:	365534
PubChem CID:	127317982
Reduced:	SO3N4C16H30 (1)
Stoich.:	AB3C4D16E30 (1)
Weight, g/mol:	384.196154
ΔH_f, kcal/mol:	-138.71
Dipole, Da:	1.95
IP(EA), eV:	-8.66(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)CNC(=O)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations