Geometry & MOs

Info

ID:	15037
PubChem CID:	427843
Reduced:	NCl2O3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	412.144624
ΔH_f, kcal/mol:	-100.09
Dipole, Da:	2.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126305
Charge, e:	1

Chem-info

IUPAC name:

benzyl(triethyl)azanium;2-(2,4-dichlorophenoxy)acetic acid

Drug info:

PubChemData

Smile

CC[N+](CC)(CC)CC1=CC=CC=C1.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O

DOS

IR

Vibrations