Geometry & MOs

Info

ID:	294956
PubChem CID:	117509144
Reduced:	BrO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	326.05176
ΔH_f, kcal/mol:	-105.54
Dipole, Da:	6.51
IP(EA), eV:	-9.06(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-bromo-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropan-1-ol

Drug info:

PubChemData

Smile

CCC1=C2C(=C(C=C1C(C)CC=O)Br)OCCCO2

DOS

IR

Vibrations