Geometry & MOs

Info

ID:	400875
PubChem CID:	135049312
Reduced:	BClNO3C20H29 (1)
Stoich.:	ABCD3E20F29 (1)
Weight, g/mol:	392.418947
ΔH_f, kcal/mol:	-165.5
Dipole, Da:	6.65
IP(EA), eV:	-9.45(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diheptyl-[(E)-2-methylundec-3-en-3-yl]oxyborane

Drug info:

PubChemData

Smile

B(CCCC)(CCCC)O/C(=C\Cl)/N1[C@@H]([C@@H](OC1=O)C2=CC=CC=C2)C

DOS

IR

Vibrations