Geometry & MOs

Info

ID:	293561
PubChem CID:	117393124
Reduced:	ClNSC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	254.98949
ΔH_f, kcal/mol:	-1.87
Dipole, Da:	2.74
IP(EA), eV:	-8.6(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-7-methoxy-1-benzofuran-5-yl)methanamine

Drug info:

PubChemData

Smile

CSC1=CC(=CC(=C1)CC2CCNCC2)Cl

DOS

IR

Vibrations