Geometry & MOs

Info

ID:	283759
PubChem CID:	104004496
Reduced:	N2O5C12H22 (1)
Stoich.:	A2B5C12D22 (1)
Weight, g/mol:	280.153541
ΔH_f, kcal/mol:	-201.43
Dipole, Da:	3.4
IP(EA), eV:	-9.93(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

COCCN(CC(=O)O)C(=O)NCCOCCC=C

DOS

IR

Vibrations