Geometry & MOs

Info

ID:	154327
PubChem CID:	56313743
Reduced:	FN3O3H24C25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	458.239242
ΔH_f, kcal/mol:	-58.7
Dipole, Da:	3.39
IP(EA), eV:	-8.5(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propan-1-one

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)CNC(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations