Geometry & MOs

Info

ID:	385496
PubChem CID:	134979241
Reduced:	OC17H32 (1)
Stoich.:	AB17C32 (1)
Weight, g/mol:	252.06849
ΔH_f, kcal/mol:	-100.37
Dipole, Da:	3.52
IP(EA), eV:	-9.42(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-1,3-bis(prop-2-enyl)-3,4-dihydro-2H-borinine

Drug info:

PubChemData

Smile

CCCCCC(=C(CCCC)CCCC)C(=O)C

DOS

IR

Vibrations