Geometry & MOs

Info

ID:	5938
PubChem CID:	14156
Reduced:	ClN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	292.097855
ΔH_f, kcal/mol:	-90.08
Dipole, Da:	4.61
IP(EA), eV:	-9.7(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,6-dimethylpyridin-1-ium-2-yl)-2-hydroxy-2-phenylacetamide;chloride

Drug info:

PubChemData

Smile

CC1=CC(=[NH+]C(=C1)NC(=O)C(C2=CC=CC=C2)O)C.[Cl-]

DOS

IR

Vibrations