Geometry & MOs

Info

ID:	418392
PubChem CID:	135104499
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-15.42
Dipole, Da:	2.69
IP(EA), eV:	-8.6(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CNC1=NC(=NC=C1)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations