Geometry & MOs

Info

ID:	59085
PubChem CID:	24770845
Reduced:	N3O6C15H19 (1)
Stoich.:	A3B6C15D19 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-112.57
Dipole, Da:	5.94
IP(EA), eV:	-9.41(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-6-[(1R,4S)-2-oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1C=CC(N(O1)C2=C(C=C(C=C2)C(=O)NCCO)[N+](=O)[O-])CO

DOS

IR

Vibrations