Geometry & MOs

Info

ID:	410571
PubChem CID:	135083371
Reduced:	BNC7H14 (1)
Stoich.:	ABC7D14 (1)
Weight, g/mol:	188.173631
ΔH_f, kcal/mol:	-32.6
Dipole, Da:	2.77
IP(EA), eV:	-8.96(1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,7R)-4-tert-butyl-4-boratricyclo[5.2.1.02,6]dec-2(6)-ene

Drug info:

PubChemData

Smile

B1(CC=CC1C)N(C)C

DOS

IR

Vibrations