Geometry & MOs

Info

ID:	419457
PubChem CID:	135108203
Reduced:	NS2O5C12H17 (1)
Stoich.:	AB2C5D12E17 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-206.11
Dipole, Da:	10.76
IP(EA), eV:	-9.88(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)N2CC[C@@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations