Geometry & MOs

Info

ID:	362561
PubChem CID:	127308222
Reduced:	F2O3N4C17H18 (1)
Stoich.:	A2B3C4D17E18 (1)
Weight, g/mol:	356.164854
ΔH_f, kcal/mol:	-164.25
Dipole, Da:	6.39
IP(EA), eV:	-9.02(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

DOS

IR

Vibrations