Geometry & MOs

Info

ID:	414391
PubChem CID:	135087348
Reduced:	O3N5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-8.6
Dipole, Da:	0.57
IP(EA), eV:	-8.73(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(pyridin-4-ylmethyl)-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NC=C3CN(CC3=N2)CC4=C(NN=C4)C(=O)O

DOS

IR

Vibrations