Geometry & MOs

Info

ID:	375203
PubChem CID:	131472842
Reduced:	BrN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	333.02258
ΔH_f, kcal/mol:	-38.54
Dipole, Da:	0.72
IP(EA), eV:	-8.92(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-7-iodo-5-[(2-methylpropan-2-yl)oxy]-2,3-dihydro-1-benzofuran-3-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1OC)O)C(CC#N)N)Br

DOS

IR

Vibrations