Geometry & MOs

Info

ID:	127227
PubChem CID:	50995208
Reduced:	F4N4O5H16C20 (1)
Stoich.:	A4B4C5D16E20 (1)
Weight, g/mol:	317.123878
ΔH_f, kcal/mol:	-306.89
Dipole, Da:	6.82
IP(EA), eV:	-9.18(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-morpholin-4-yl-3-[4-(trifluoromethoxy)phenyl]butan-1-one

Drug info:

PubChemData

Smile

C1CO[C@@H](C(=O)N1C2=CC(=C(C=C2)C(F)(F)F)F)[C@H](C(=O)NC3=CC4=C(C=C3)C(=NO4)N)O

DOS

IR

Vibrations