Geometry & MOs

Info

ID:	416336
PubChem CID:	135089349
Reduced:	O2F3N3C18H22 (1)
Stoich.:	A2B3C3D18E22 (1)
Weight, g/mol:	343.180839
ΔH_f, kcal/mol:	-166.29
Dipole, Da:	5.67
IP(EA), eV:	-9.49(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]piperazin-1-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(CCC2=CC=CC=C2)O)CC3=NC(=NO3)C(F)(F)F

DOS

IR

Vibrations