Geometry & MOs

Info

ID:	194145
PubChem CID:	78491399
Reduced:	N2Cl3O3C18H20 (1)
Stoich.:	A2B3C3D18E20 (1)
Weight, g/mol:	340.238888
ΔH_f, kcal/mol:	-75.64
Dipole, Da:	6.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.860739
Charge, e:	1

Chem-info

IUPAC name:

[1-[4-(dimethylamino)phenyl]-2-[(3,5-dimethylbenzoyl)amino]ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)[NH2+]CC2=CC=CC=C2)OC

DOS

IR

Vibrations