Geometry & MOs

Info

ID:	89895
PubChem CID:	49965286
Reduced:	N3O5H19C20 (1)
Stoich.:	A3B5C19D20 (1)
Weight, g/mol:	406.176681
ΔH_f, kcal/mol:	-82.98
Dipole, Da:	11.5
IP(EA), eV:	-8.45(-2.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3R,4S)-4-(4-cyclopentyloxy-3-methoxyphenyl)-6-hydroxy-2-oxo-3-pyridin-1-ium-1-yl-3,4-dihydro-1H-pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@H](C(=O)NC(=O)C2=C=[N-])[N+]3=CC=CC=C3

DOS

IR

Vibrations