Geometry & MOs

Info

ID:	444572
PubChem CID:	135262887
Reduced:	O2N3C28H29 (1)
Stoich.:	A2B3C28D29 (1)
Weight, g/mol:	266.98949
ΔH_f, kcal/mol:	-27.92
Dipole, Da:	3.3
IP(EA), eV:	-8.71(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromoisoindol-2-yl)-2-methoxyethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=CC=C2C(C3=CC=CC=C3)NC(=O)CC4=CC5=C(C=C4)NC(=O)C5

DOS

IR

Vibrations