Geometry & MOs

Info

ID:	394826
PubChem CID:	135023879
Reduced:	O3N4C10H18 (1)
Stoich.:	A3B4C10D18 (1)
Weight, g/mol:	223.144653
ΔH_f, kcal/mol:	-89.0
Dipole, Da:	4.71
IP(EA), eV:	-9.58(0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-(dimethylamino)pyridin-1-ium-1-yl]-5-hydroxypentan-1-one

Drug info:

PubChemData

Smile

CC1=CN(N=N1)CC[C@@H]2C(C([C@@H](CN2)O)O)O

DOS

IR

Vibrations