Geometry & MOs

Info

ID:	415257
PubChem CID:	135088249
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-71.2
Dipole, Da:	6.92
IP(EA), eV:	-9.54(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethylphenyl)-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)CN3C=CC=NC3=O

DOS

IR

Vibrations