Geometry & MOs

Info

ID:	371802
PubChem CID:	131271705
Reduced:	ISO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	275.0321
ΔH_f, kcal/mol:	-58.63
Dipole, Da:	5.49
IP(EA), eV:	-9.23(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-amino-3-methylbutyl]-3-bromo-6-fluorophenol

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1SC(=C2)C=CC(=O)O)I)O

DOS

IR

Vibrations