Geometry & MOs

Info

ID:	421745
PubChem CID:	135116527
Reduced:	ClN2O3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	331.251129
ΔH_f, kcal/mol:	-59.84
Dipole, Da:	1.8
IP(EA), eV:	-9.01(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-methoxy-7-[2-(2-propan-2-ylphenoxy)ethyl]-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NOC(=C2C(=O)O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations