Geometry & MOs

Info

ID:	330584
PubChem CID:	127247991
Reduced:	SO3N4C16H26 (1)
Stoich.:	AB3C4D16E26 (1)
Weight, g/mol:	345.241627
ΔH_f, kcal/mol:	-92.76
Dipole, Da:	4.32
IP(EA), eV:	-9.0(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[(dimethylamino)methyl]pyridin-2-yl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone

Drug info:

PubChemData

Smile

CN(C)CC1=NC(=CC=C1)C2CCCN2S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations