Geometry & MOs

Info

ID:	46235
PubChem CID:	10523449
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	374.281237
ΔH_f, kcal/mol:	8.54
Dipole, Da:	2.98
IP(EA), eV:	-8.81(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E,5Z)-6-dicyclohexylboranyl-6-trimethylsilylhexa-2,5-dienoate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1C(=O)[C@@H]3CCC[C@]3(C4=NC5=CC=CC=C5N4C)O

DOS

IR

Vibrations