Geometry & MOs

Info

ID:	408926
PubChem CID:	135081698
Reduced:	BC14H27 (1)
Stoich.:	AB14C27 (1)
Weight, g/mol:	234.251881
ΔH_f, kcal/mol:	-69.02
Dipole, Da:	0.28
IP(EA), eV:	-9.42(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,9aS)-1-(2,3-dimethylbutan-2-yl)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b]borinine

Drug info:

PubChemData

Smile

B1(CC[C@@H]2[C@@H]1CCCC2)C(C)(C)C(C)C

DOS

IR

Vibrations