Geometry & MOs

Info

ID:	294648
PubChem CID:	117478587
Reduced:	BrO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	296.07758
ΔH_f, kcal/mol:	-44.49
Dipole, Da:	5.4
IP(EA), eV:	-9.05(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-bromo-4-pentan-3-ylphenyl)methyl]cyclopropan-1-ol

Drug info:

PubChemData

Smile

CC(CC=O)C1=C(C=CC(=C1)Br)OCC2CC2

DOS

IR

Vibrations