Geometry & MOs

Info

ID:	137983
PubChem CID:	52294400
Reduced:	N3O3C21H28 (1)
Stoich.:	A3B3C21D28 (1)
Weight, g/mol:	359.156909
ΔH_f, kcal/mol:	-85.66
Dipole, Da:	6.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.857505
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-[amino-(6-piperidin-1-ylpyridin-3-yl)methylidene]amino]oxy-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=CC=C1)NC[C@H](C2=CC=CC=C2OC)[NH+]3CCCC3

DOS

IR

Vibrations