Geometry & MOs

Info

ID:	373984
PubChem CID:	131322031
Reduced:	BrN2O4C7H7 (1)
Stoich.:	AB2C4D7E7 (1)
Weight, g/mol:	163.063329
ΔH_f, kcal/mol:	-137.08
Dipole, Da:	3.61
IP(EA), eV:	-11.15(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-5,6-dihydro-4H-1-benzofuran-7-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=O)NC(=O)C1Br

DOS

IR

Vibrations