Geometry & MOs

Info

ID:	444568
PubChem CID:	135262882
Reduced:	N2O5C28H28 (1)
Stoich.:	A2B5C28D28 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-128.93
Dipole, Da:	4.46
IP(EA), eV:	-9.35(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-acetyl-1,3-dihydroisoindol-5-yl)cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1)C=C(C=C2)C3(CC3)C(=O)OC(=O)C4(CC4)C5=CC6=C(CN(C6)C(=O)C)C=C5

DOS

IR

Vibrations