Geometry & MOs

Info

ID:	341988
PubChem CID:	127264681
Reduced:	NO6C15H17 (1)
Stoich.:	AB6C15D17 (1)
Weight, g/mol:	248.9556
ΔH_f, kcal/mol:	-248.85
Dipole, Da:	7.17
IP(EA), eV:	-8.5(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-7-bromo-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C=CC(=C2)OC(=O)C)C(=O)OC.CC(=O)O

DOS

IR

Vibrations