Geometry & MOs

Info

ID:	164568
PubChem CID:	74417561
Reduced:	FON4C27H32 (1)
Stoich.:	ABC4D27E32 (1)
Weight, g/mol:	391.188249
ΔH_f, kcal/mol:	4.04
Dipole, Da:	8.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.219520
Charge, e:	1

Chem-info

IUPAC name:

5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridin-1-ium-2-amine

Drug info:

PubChemData

Smile

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)CCCC3=CC=CC=C3)CC=CC4=CC=C(C=C4)F

DOS

IR

Vibrations