Geometry & MOs

Info

ID:	60270
PubChem CID:	26676057
Reduced:	N2O5C16H18 (1)
Stoich.:	A2B5C16D18 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-104.02
Dipole, Da:	6.06
IP(EA), eV:	-8.52(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S)-2-methylcyclohexyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)COC2=CC=CC=[N+]2[O-])OC

DOS

IR

Vibrations