Geometry & MOs

Info

ID:	416424
PubChem CID:	135089437
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	287.224915
ΔH_f, kcal/mol:	-82.11
Dipole, Da:	5.83
IP(EA), eV:	-9.14(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)CC2=CC=NN2C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations