Geometry & MOs

Info

ID:	246611
PubChem CID:	103061482
Reduced:	ON6C11H14 (1)
Stoich.:	AB6C11D14 (1)
Weight, g/mol:	257.199094
ΔH_f, kcal/mol:	29.7
Dipole, Da:	3.88
IP(EA), eV:	-9.31(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-propoxypiperidin-1-yl)methyl]oxan-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=N1)C)CC2=CN=C(C=N2)NN

DOS

IR

Vibrations