Geometry & MOs

Info

ID:	336381
PubChem CID:	127255388
Reduced:	ON3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	558.268964
ΔH_f, kcal/mol:	60.15
Dipole, Da:	5.55
IP(EA), eV:	-8.44(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-amino-1,3-dihydroisoindole-2-carboxylate;oxalic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)NC(=O)N4CCNCC4

DOS

IR

Vibrations