Geometry & MOs

Info

ID:	259111
PubChem CID:	103158228
Reduced:	SN3O4C9H13 (1)
Stoich.:	AB3C4D9E13 (1)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	-144.08
Dipole, Da:	8.55
IP(EA), eV:	-9.63(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[(1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)NC1=NC=CS1

DOS

IR

Vibrations