Geometry & MOs

Info

ID:	59086
PubChem CID:	24770848
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-46.4
Dipole, Da:	4.66
IP(EA), eV:	-9.0(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H]2C=C[C@H]1N(O2)C3=NC=C(C=C3)C(=O)NCCO

DOS

IR

Vibrations