Geometry & MOs

Info

ID:	335859
PubChem CID:	127254721
Reduced:	BrNO3H22C33 (1)
Stoich.:	ABC3D22E33 (1)
Weight, g/mol:	461.183838
ΔH_f, kcal/mol:	39.34
Dipole, Da:	5.05
IP(EA), eV:	-8.46(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[benzyl(methyl)amino]methyl]-5-hydroxy-1-benzofuran-3-yl]-(2,3,4-trimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2[C@@H](N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)Br)C(=O)C7=CC=CC=C7

DOS

IR

Vibrations