Geometry & MOs

Info

ID:	267369
PubChem CID:	103582020
Reduced:	BrNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	345.03644
ΔH_f, kcal/mol:	-101.34
Dipole, Da:	4.07
IP(EA), eV:	-8.85(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NC(=O)CC2CCCCO2

DOS

IR

Vibrations