Geometry & MOs

Info

ID:	444681
PubChem CID:	135263254
Reduced:	SN3O5C31H39 (1)
Stoich.:	AB3C5D31E39 (1)
Weight, g/mol:	222.96328
ΔH_f, kcal/mol:	-158.16
Dipole, Da:	4.25
IP(EA), eV:	-8.53(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2,3-dihydro-1-benzofuran-7-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)CC3=CC(=C(C=C3)N4CCS(=O)(=O)CC4)OC)N5CCCCC5

DOS

IR

Vibrations