Geometry & MOs

Info

ID:	309865
PubChem CID:	126563246
Reduced:	FON6H21C28 (1)
Stoich.:	ABC6D21E28 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	98.89
Dipole, Da:	13.21
IP(EA), eV:	-8.48(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-propanoyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC(=CC=C6)F

DOS

IR

Vibrations