Geometry & MOs

Info

ID:	422750
PubChem CID:	135118350
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	317.235479
ΔH_f, kcal/mol:	-60.78
Dipole, Da:	6.17
IP(EA), eV:	-8.83(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(N=CC=C2)NCCCN3CCNC(=O)C3

DOS

IR

Vibrations