Geometry & MOs

Info

ID:	289638
PubChem CID:	104362416
Reduced:	BrO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	325.06774
ΔH_f, kcal/mol:	-169.84
Dipole, Da:	5.71
IP(EA), eV:	-8.83(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(CC1=CC(=CC2=C1OCC2)Br)(CC(OC)OC)O

DOS

IR

Vibrations