Geometry & MOs

Info

ID:	419459
PubChem CID:	135108205
Reduced:	NSO4C15H21 (1)
Stoich.:	ABC4D15E21 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-173.95
Dipole, Da:	6.03
IP(EA), eV:	-9.51(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)C(=O)CC2=CC=CS2)C(=O)O

DOS

IR

Vibrations