Geometry & MOs

Info

ID:	151495
PubChem CID:	53837728
Reduced:	ClNO2H4C5 (2)
Stoich.:	ABC2D4E5 (2)
Weight, g/mol:	406.225643
ΔH_f, kcal/mol:	-75.41
Dipole, Da:	3.92
IP(EA), eV:	-9.79(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-(6-methoxy-1-benzofuran-3-yl)ethyl-methylamino]propyl]-5,6-dimethylisoindol-1-ol

Drug info:

PubChemData

Smile

CCC(=O)C(=O)NC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl

DOS

IR

Vibrations