Geometry & MOs

Info

ID:	244580
PubChem CID:	99368069
Reduced:	N3O3H23C24 (1)
Stoich.:	A3B3C23D24 (1)
Weight, g/mol:	387.04701
ΔH_f, kcal/mol:	-2.79
Dipole, Da:	6.43
IP(EA), eV:	-9.33(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(2-hydroxyphenyl)methyl]-N-propyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1=CC=CC=C1O)C(=O)C2=CC(=NC3=C2C(=NO3)C)C4=CC=CC=C4

DOS

IR

Vibrations