Geometry & MOs

Info

ID:	390881
PubChem CID:	135001428
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	519.372011
ΔH_f, kcal/mol:	-100.45
Dipole, Da:	3.76
IP(EA), eV:	-9.13(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[1,3-bis[di(propan-2-yl)amino]-1,3,2-diazaborolidin-2-yl]-2-[4-(trifluoromethyl)phenyl]hept-2-enenitrile

Drug info:

PubChemData

Smile

C1C[C@@]2([C@H](CC3=CC=CC=C32)C4(C1)OCCO4)C=O

DOS

IR

Vibrations