Geometry & MOs

Info

ID:	292055
PubChem CID:	114170511
Reduced:	ClO2N3C13H20 (1)
Stoich.:	AB2C3D13E20 (1)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	-87.27
Dipole, Da:	2.44
IP(EA), eV:	-9.58(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S)-3-[(1-ethylcyclobutyl)carbamoylamino]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=N1)Cl)NC2(CCOCC2)CO

DOS

IR

Vibrations