Geometry & MOs

Info

ID:	270545
PubChem CID:	103637080
Reduced:	BrNOSC13H14 (1)
Stoich.:	ABCDE13F14 (1)
Weight, g/mol:	333.03644
ΔH_f, kcal/mol:	7.2
Dipole, Da:	2.92
IP(EA), eV:	-8.87(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Br)CNCCC2=CSC=C2)O

DOS

IR

Vibrations