Geometry & MOs

Info

ID:	414410
PubChem CID:	135087368
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	353.16608
ΔH_f, kcal/mol:	-118.35
Dipole, Da:	1.62
IP(EA), eV:	-8.52(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-methoxy-7-(2-phenoxyethylsulfonyl)-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

COC1=CC(=NC=C1)CN2CC3(CCN(CC3)CC4=CC5=C(C=C4)OCC5)OCCC2=O

DOS

IR

Vibrations