Geometry & MOs

Info

ID:	262287
PubChem CID:	103282404
Reduced:	F2N3C8H11 (1)
Stoich.:	A2B3C8D11 (1)
Weight, g/mol:	292.189926
ΔH_f, kcal/mol:	-73.12
Dipole, Da:	2.7
IP(EA), eV:	-8.0(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-methyl-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,6-diene-11-carboxylate

Drug info:

PubChemData

Smile

CC1=CN2C(CCN=C2N1)C(F)F

DOS

IR

Vibrations