Geometry & MOs

Info

ID:	15039
PubChem CID:	427846
Reduced:	NCl2O2C20H26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	382.134059
ΔH_f, kcal/mol:	-64.92
Dipole, Da:	3.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126750
Charge, e:	1

Chem-info

IUPAC name:

benzyl(triethyl)azanium;2,4-dichlorobenzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations