Geometry & MOs

Info

ID:	376163
PubChem CID:	134222168
Reduced:	ClO2N4C25H27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	345.00006
ΔH_f, kcal/mol:	-39.81
Dipole, Da:	5.05
IP(EA), eV:	-9.19(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-bromo-4-(hydroxymethyl)phenyl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCC(/C=C/C1=CC(=C(C=C1)CNC(=O)C)N2C=CC(=NC2=O)N)C3=CC(=CC(=C3)C)Cl

DOS

IR

Vibrations