Geometry & MOs

Info

ID:	240503
PubChem CID:	93581074
Reduced:	FNO4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-178.43
Dipole, Da:	4.85
IP(EA), eV:	-9.02(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2R)-3-[[4-(dimethylamino)phenyl]methyl-pyridin-2-ylamino]-2-hydroxypropoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OC[C@@H](CN(C[C@@H]2CCCO2)CC3=CC(=CC=C3)F)O

DOS

IR

Vibrations