Geometry & MOs

Info

ID:	417431
PubChem CID:	135093829
Reduced:	ClNSO6C16H22 (1)
Stoich.:	ABCD6E16F22 (1)
Weight, g/mol:	342.241962
ΔH_f, kcal/mol:	-255.74
Dipole, Da:	2.44
IP(EA), eV:	-9.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]ethanone

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)S(=O)(=O)C2=C(C=CC(=C2)Cl)OC)C(=O)O

DOS

IR

Vibrations