Geometry & MOs

Info

ID:	15041
PubChem CID:	427854
Reduced:	NCl2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	370.097674
ΔH_f, kcal/mol:	-74.43
Dipole, Da:	4.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.962734
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations