Geometry & MOs

Info

ID:	201727
PubChem CID:	79571834
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-58.81
Dipole, Da:	3.92
IP(EA), eV:	-9.47(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(methylamino)-2-(2-pyrazol-1-ylethyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1(CCCC1CCN2C=CC=N2)N

DOS

IR

Vibrations