Geometry & MOs

Info

ID:	55024
PubChem CID:	17389673
Reduced:	NF5C13H14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	163.1361
ΔH_f, kcal/mol:	-238.37
Dipole, Da:	4.38
IP(EA), eV:	-9.46(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isocyano-1,7,7-trimethylbicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C1CCNC(C1)(C2=CC=CC=C2)C(C(F)(F)F)(F)F

DOS

IR

Vibrations