Geometry & MOs

Info

ID:	289640
PubChem CID:	104362494
Reduced:	ClNO2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	352.10379
ΔH_f, kcal/mol:	-90.1
Dipole, Da:	2.66
IP(EA), eV:	-8.66(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(CN1C)(CC2=CC(=CC3=C2OCC3)Cl)O

DOS

IR

Vibrations