Geometry & MOs

Info

ID:	135336
PubChem CID:	51852509
Reduced:	ClN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	300.159969
ΔH_f, kcal/mol:	-85.24
Dipole, Da:	2.72
IP(EA), eV:	-8.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-(2-methoxy-2-oxoethoxy)phenyl]methyl-(2-phenylethyl)azanium

Drug info:

PubChemData

Smile

CC1=C([C@@H](NC(=O)N1)C2=CC(=C(C=C2)OC)Cl)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations