Geometry & MOs

Info

ID:	421490
PubChem CID:	135116113
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	351.219829
ΔH_f, kcal/mol:	-99.31
Dipole, Da:	2.45
IP(EA), eV:	-8.95(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-[(3-phenylmethoxyphenyl)methyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=CC(=NC(=N3)OC)OC)CO

DOS

IR

Vibrations