Geometry & MOs

Info

ID:	400621
PubChem CID:	135048521
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	356.220887
ΔH_f, kcal/mol:	56.52
Dipole, Da:	3.89
IP(EA), eV:	-9.16(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1,4-dichlorobut-2-en-2-yl]-bis(2,3-dimethylcyclohexyl)borane

Drug info:

PubChemData

Smile

CC=CCON1C=NC2=CC=CC=C21

DOS

IR

Vibrations