Geometry & MOs

Info

ID:	189743
PubChem CID:	77899013
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-7.31
Dipole, Da:	6.3
IP(EA), eV:	-8.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CC(NN2)C(=O)NCC3=NC=C4CCCC4=N3

DOS

IR

Vibrations