Geometry & MOs

Info

ID:	354452
PubChem CID:	127286896
Reduced:	FON5C21H28 (1)
Stoich.:	ABC5D21E28 (1)
Weight, g/mol:	384.196154
ΔH_f, kcal/mol:	-46.55
Dipole, Da:	5.12
IP(EA), eV:	-8.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=C(C=C(C=C2)CNC(=O)N3CCCC3CN4CCCC4)F

DOS

IR

Vibrations