Geometry & MOs

Info

ID:	39137
PubChem CID:	8139774
Reduced:	ClN2O2C18H21 (1)
Stoich.:	AB2C2D18E21 (1)
Weight, g/mol:	321.194008
ΔH_f, kcal/mol:	-43.61
Dipole, Da:	3.91
IP(EA), eV:	-9.01(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 3-(4-tert-butylphenoxy)propanoate

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)COC2=CC=C(C=C2)Cl

DOS

IR

Vibrations