Geometry & MOs

Info

ID:	132316
PubChem CID:	51342099
Reduced:	NO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	241.085127
ΔH_f, kcal/mol:	-195.13
Dipole, Da:	3.97
IP(EA), eV:	-8.76(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1H-pyrazol-4-yl)ethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)[C@H]3C(C([C@@H](C(O3)CO)O)O)O

DOS

IR

Vibrations