Geometry & MOs

Info

ID:	290794
PubChem CID:	111123297
Reduced:	ClN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	283.158372
ΔH_f, kcal/mol:	-64.99
Dipole, Da:	5.74
IP(EA), eV:	-8.79(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(2-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propanoate

Drug info:

PubChemData

Smile

CC1=C(N(C=N1)CC(COC(C)C2=CC=C(C=C2)Cl)O)C

DOS

IR

Vibrations