Geometry & MOs

Info

ID:	403874
PubChem CID:	135062354
Reduced:	BO4C29H37 (1)
Stoich.:	AB4C29D37 (1)
Weight, g/mol:	346.213782
ΔH_f, kcal/mol:	-230.11
Dipole, Da:	5.29
IP(EA), eV:	-9.23(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-1-cyclopropyl-2-thiophen-2-ylhept-2-en-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)/C(=C(\CC2=CC=CC=C2)/C3=CC=C(C=C3)C(=O)OC)/C4CCCCC4

DOS

IR

Vibrations