Geometry & MOs

Info

ID:	14546
PubChem CID:	414471
Reduced:	N2O2Cl3C9H10 (1)
Stoich.:	A2B2C3D9E10 (1)
Weight, g/mol:	282.980786
ΔH_f, kcal/mol:	-78.62
Dipole, Da:	3.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.966074
Charge, e:	1

Chem-info

IUPAC name:

2-pyridin-1-ium-1-yl-N-(2,2,2-trichloro-1-hydroxyethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=[N+](C=C1)CC(=O)NC(C(Cl)(Cl)Cl)O

DOS

IR

Vibrations