Geometry & MOs

Info

ID:	289641
PubChem CID:	104362542
Reduced:	BrO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	325.06774
ΔH_f, kcal/mol:	-102.56
Dipole, Da:	3.9
IP(EA), eV:	-8.66(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]azepan-4-ol

Drug info:

PubChemData

Smile

CC(C)C1CCCCC1(CC2=CC(=CC3=C2OCC3)Br)O

DOS

IR

Vibrations