Geometry & MOs

Info

ID:	218449
PubChem CID:	85089462
Reduced:	NOSeC18H22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	468.394606
ΔH_f, kcal/mol:	80.7
Dipole, Da:	3.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.903345
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3,2-dioxaborinan-2-yl)hex-5-en-3-yloxy-bis(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)borane

Drug info:

PubChemData

Smile

CC([C]1[CH][CH][CH][C]1[Se](=O)CC=CC2=CC=CC=C2)N(C)C

DOS

IR

Vibrations