Geometry & MOs

Info

ID:	130178
PubChem CID:	51075153
Reduced:	FN5H12C16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	338.139033
ΔH_f, kcal/mol:	90.81
Dipole, Da:	5.9
IP(EA), eV:	-9.11(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-fluoro-2-nitrophenyl)piperazin-1-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C#N)NCC2=CN=C(C=C2)N3C=CC=N3

DOS

IR

Vibrations