Geometry & MOs

Info

ID:	350995
PubChem CID:	127279404
Reduced:	SN2O3C20H30 (1)
Stoich.:	AB2C3D20E30 (1)
Weight, g/mol:	291.219829
ΔH_f, kcal/mol:	-133.49
Dipole, Da:	9.49
IP(EA), eV:	-9.31(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylpyrrolidin-1-yl)-2-(3-hydroxy-1-adamantyl)ethanone

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CCCCC1CC2=CC=CC=C2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations