Geometry & MOs

Info

ID:	151513
PubChem CID:	53837746
Reduced:	PN4O6C10H17 (1)
Stoich.:	AB4C6D10E17 (1)
Weight, g/mol:	298.191937
ΔH_f, kcal/mol:	-316.07
Dipole, Da:	2.51
IP(EA), eV:	-9.61(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-[ethyl-[2-(4-methylpyridin-1-ium-1-yl)ethyl]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N)N)O

DOS

IR

Vibrations