Geometry & MOs

Info

ID:	354223
PubChem CID:	127286187
Reduced:	FON5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	396.196154
ΔH_f, kcal/mol:	-41.75
Dipole, Da:	4.67
IP(EA), eV:	-8.69(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=C(C=C(C=C2)NC(=O)N3CCN4CCCCC4C3)F)C

DOS

IR

Vibrations