Geometry & MOs

Info

ID:	276757
PubChem CID:	103824989
Reduced:	ClN3O4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-81.84
Dipole, Da:	3.02
IP(EA), eV:	-10.3(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-2,2-dimethylbutyl)-3-methyl-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=CC(=NC=C1[N+](=O)[O-])Cl

DOS

IR

Vibrations