Geometry & MOs

Info

ID:	262806
PubChem CID:	103319030
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	290.134303
ΔH_f, kcal/mol:	-4.16
Dipole, Da:	3.89
IP(EA), eV:	-8.11(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,6-difluorophenyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2-diene

Drug info:

PubChemData

Smile

CCOC(=O)C1CN=C2C3=C(NN(C3=NN2C1C)C)C

DOS

IR

Vibrations