Geometry & MOs

Info

ID:	221073
PubChem CID:	85256729
Reduced:	NO3C15H29 (1)
Stoich.:	AB3C15D29 (1)
Weight, g/mol:	272.267531
ΔH_f, kcal/mol:	-156.42
Dipole, Da:	4.0
IP(EA), eV:	-10.47(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b]borinine

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(C1C(O1)C(=O)N)O

DOS

IR

Vibrations