Geometry & MOs

Info

ID:	401230
PubChem CID:	135050652
Reduced:	OC4H6 (4)
Stoich.:	AB4C6 (4)
Weight, g/mol:	172.142331
ΔH_f, kcal/mol:	-195.89
Dipole, Da:	5.62
IP(EA), eV:	-9.79(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-propyl-2,3-dihydro-1-benzoborole

Drug info:

PubChemData

Smile

C[C@H]1[C@H]([C@@H]2[C@@H](COC2=O)C=C1C)COC3CCCCO3

DOS

IR

Vibrations