Geometry & MOs

Info

ID:	421999
PubChem CID:	135116988
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	315.219829
ΔH_f, kcal/mol:	-28.14
Dipole, Da:	3.61
IP(EA), eV:	-8.56(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2,4,6-trimethylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C3=NC=C(C=N3)OC

DOS

IR

Vibrations