Geometry & MOs

Info

ID:	364261
PubChem CID:	127314742
Reduced:	ClN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	299.155515
ΔH_f, kcal/mol:	-114.38
Dipole, Da:	4.67
IP(EA), eV:	-8.92(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)-2-methyl-2-methylsulfonylpropan-1-one

Drug info:

PubChemData

Smile

CN(CCN1CCCC1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

DOS

IR

Vibrations