Geometry & MOs

Info

ID:	360328
PubChem CID:	127300971
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-1.41
Dipole, Da:	3.96
IP(EA), eV:	-8.27(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=CC4=C(C=C3)NC5=C4CCCC5

DOS

IR

Vibrations