Geometry & MOs

Info

ID:	398397
PubChem CID:	135033110
Reduced:	NO6C25H27 (1)
Stoich.:	AB6C25D27 (1)
Weight, g/mol:	467.203676
ΔH_f, kcal/mol:	-204.7
Dipole, Da:	2.28
IP(EA), eV:	-8.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[[5,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-1,3-dioxa-2-boranuidacyclohex-2-yl]-(4-methoxyphenyl)methoxy]-trimethylsilane

Drug info:

PubChemData

Smile

CCOC(=O)C([C@@H](C1=C(C2=C(N1)C=CC(=C2)OC)C)C(=O)C3=CC=CC=C3)C(=O)OCC

DOS

IR

Vibrations