Geometry & MOs

Info

ID:	38392
PubChem CID:	8034575
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-39.49
Dipole, Da:	2.05
IP(EA), eV:	-8.51(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5R,6R,7S)-3-cyclopentyl-4-oxo-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

Drug info:

PubChemData

Smile

CCOC1=NC2=CC=CC=C2N=C1N3C[C@H](O[C@@H](C3)C)C

DOS

IR

Vibrations