Geometry & MOs

Info

ID:	259033
PubChem CID:	103158050
Reduced:	NOSC13H25 (1)
Stoich.:	ABCD13E25 (1)
Weight, g/mol:	251.199762
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	2.68
IP(EA), eV:	-8.56(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNCC2CCCS2)O

DOS

IR

Vibrations