Geometry & MOs

Info

ID:	149568
PubChem CID:	53789241
Reduced:	FNOH24C26 (1)
Stoich.:	ABCD24E26 (1)
Weight, g/mol:	528.178453
ΔH_f, kcal/mol:	-23.61
Dipole, Da:	2.37
IP(EA), eV:	-7.86(-0.22)
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-3-ylmethyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2C3=C(C(=CC2(C)C)C)C4=C(C=C3)C5=CC=CC=C5OC4)F

DOS

IR

Vibrations