Geometry & MOs

Info

ID:	400739
PubChem CID:	135048935
Reduced:	BPH22C25 (1)
Stoich.:	ABC22D25 (1)
Weight, g/mol:	282.17911
ΔH_f, kcal/mol:	147.89
Dipole, Da:	5.8
IP(EA), eV:	-6.88(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-2,9,9-trimethyl-4-[(E)-2-phenylethenyl]-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

Drug info:

PubChemData

Smile

[B-](CC1=CC=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations