Geometry & MOs

Info

ID:	138291
PubChem CID:	52341188
Reduced:	F2N2O3C21H24 (1)
Stoich.:	A2B2C3D21E24 (1)
Weight, g/mol:	345.113658
ΔH_f, kcal/mol:	-165.1
Dipole, Da:	4.18
IP(EA), eV:	-8.55(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-(2,4-dichlorophenyl)ethyl]-methyl-(3-morpholin-4-yl-3-oxopropyl)azanium

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)OC[C@@H](CN(CC2=C(C=C(C=C2)F)F)C3CC3)O

DOS

IR

Vibrations