Geometry & MOs

Info

ID:	400578
PubChem CID:	135048394
Reduced:	BO5C16H27 (1)
Stoich.:	AB5C16D27 (1)
Weight, g/mol:	493.387981
ΔH_f, kcal/mol:	-290.21
Dipole, Da:	3.55
IP(EA), eV:	-8.72(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-3-[bis[(1S,2R,3S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]boranyl]prop-1-enyl]-N-phenylaniline

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C/C=C\O[C@H]2CCCO[C@H]2CC=O

DOS

IR

Vibrations