Geometry & MOs

Info

ID:	272102
PubChem CID:	103724035
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-154.77
Dipole, Da:	2.62
IP(EA), eV:	-9.25(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-(1-ethylpyrazol-4-yl)-2-oxoethyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)CC2CCCN2C(=O)OC(C)(C)C

DOS

IR

Vibrations