Geometry & MOs

Info

ID:	414506
PubChem CID:	135087465
Reduced:	N6O6C31H38 (1)
Stoich.:	A6B6C31D38 (1)
Weight, g/mol:	303.219829
ΔH_f, kcal/mol:	-211.21
Dipole, Da:	7.88
IP(EA), eV:	-8.98(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-[2-(2,3-dimethylphenoxy)ethyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)C3=CC4=C(C=C3)C(=O)N(C=N4)C

DOS

IR

Vibrations