Geometry & MOs

Info

ID:	360334
PubChem CID:	127300977
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-89.27
Dipole, Da:	4.17
IP(EA), eV:	-8.84(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)C3=CC=C(C=C3)OCC4CCCO4

DOS

IR

Vibrations