Geometry & MOs

Info

ID:	262268
PubChem CID:	103281133
Reduced:	F4N4H12C13 (1)
Stoich.:	A4B4C12D13 (1)
Weight, g/mol:	179.117095
ΔH_f, kcal/mol:	-108.58
Dipole, Da:	4.55
IP(EA), eV:	-9.32(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-4,6-diene

Drug info:

PubChemData

Smile

CC1CN=C2N=C(NN2C1C3=CC=CC=C3F)C(F)(F)F

DOS

IR

Vibrations