Geometry & MOs

Info

ID:	421561
PubChem CID:	135116208
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	303.219829
ΔH_f, kcal/mol:	-67.75
Dipole, Da:	4.74
IP(EA), eV:	-9.12(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[2-(2,4-dimethylphenoxy)ethyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC(C)CC1=NOC(=C1)CNC(=O)CC2CN(CCO2)CC3=CC=CC=C3

DOS

IR

Vibrations