Geometry & MOs

Info

ID:	26692
PubChem CID:	794624
Reduced:	N5H11C15 (1)
Stoich.:	A5B11C15 (1)
Weight, g/mol:	301.155218
ΔH_f, kcal/mol:	127.98
Dipole, Da:	1.21
IP(EA), eV:	-9.02(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[(2R)-2-hydroxy-3-(4-methylpyridin-1-ium-1-yl)propoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C4=NC(=NN24)N

DOS

IR

Vibrations