Geometry & MOs

Info

ID:	146972
PubChem CID:	53776845
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	514.162803
ΔH_f, kcal/mol:	-124.71
Dipole, Da:	4.82
IP(EA), eV:	-9.2(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-N-methyl-N-pyridin-2-ylpyridin-2-amine

Drug info:

PubChemData

Smile

CCN(C=C(C(=O)O)C(=O)OC(C)C)C1=CC=CC(=C1)C2=CN=CC=C2

DOS

IR

Vibrations