Geometry & MOs

Info

ID:	400601
PubChem CID:	135048452
Reduced:	BClNO2C24H41 (1)
Stoich.:	ABCD2E24F41 (1)
Weight, g/mol:	374.30646
ΔH_f, kcal/mol:	-219.82
Dipole, Da:	7.37
IP(EA), eV:	-10.25(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(4-ethenylhepta-1,6-dien-4-yl)-2,4-bis(prop-2-enyl)-1,3,2,4-diazadiboretidine

Drug info:

PubChemData

Smile

B1(O[C@@H]([C@H](O1)C2CCCCC2)C3CCCCC3)[C@@H]([C@@H](CCCC)CC(C)C#N)Cl

DOS

IR

Vibrations