Geometry & MOs

Info

ID:	400571
PubChem CID:	135048384
Reduced:	BOC20H36 (1)
Stoich.:	ABC20D36 (1)
Weight, g/mol:	402.33776
ΔH_f, kcal/mol:	-47.85
Dipole, Da:	6.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.789429
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[B-]1(C2CCCC1CCC2)(CCCCCCCC)C(=C=C)OC

DOS

IR

Vibrations