Geometry & MOs

Info

ID:	400781
PubChem CID:	135049045
Reduced:	BO2C20H33 (1)
Stoich.:	AB2C20D33 (1)
Weight, g/mol:	368.288661
ΔH_f, kcal/mol:	-133.74
Dipole, Da:	2.52
IP(EA), eV:	-9.42(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dicyclohexyl-[(3S)-3-methyl-4-phenylmethoxybut-1-en-2-yl]oxyborane

Drug info:

PubChemData

Smile

B(CCCC)(CCCC)OC(=C)[C@@H](C)COCC1=CC=CC=C1

DOS

IR

Vibrations