Geometry & MOs

Info

ID:	370455
PubChem CID:	127338949
Reduced:	ON5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	354.144038
ΔH_f, kcal/mol:	49.03
Dipole, Da:	1.3
IP(EA), eV:	-8.78(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(1-pyrimidin-2-ylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2CC1CC2CC(=O)NC3=CN(N=C3)C4=NC=CC=N4

DOS

IR

Vibrations