Geometry & MOs

Info

ID:	400504
PubChem CID:	135048137
Reduced:	BC16H29 (1)
Stoich.:	AB16C29 (1)
Weight, g/mol:	254.124488
ΔH_f, kcal/mol:	-56.68
Dipole, Da:	0.68
IP(EA), eV:	-8.92(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,6R,8S)-4-[(1S)-1-chloroprop-2-enyl]-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane

Drug info:

PubChemData

Smile

B1(CC(=CC1C2CCCC2)C)CC(C)C(C)C

DOS

IR

Vibrations