Geometry & MOs

Info

ID:	365744
PubChem CID:	127318469
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	332.184841
ΔH_f, kcal/mol:	-52.73
Dipole, Da:	1.83
IP(EA), eV:	-9.6(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3CC4CCC3O4

DOS

IR

Vibrations