Geometry & MOs

Info

ID:	262805
PubChem CID:	103318920
Reduced:	FNC3H4 (3)
Stoich.:	ABC3D4 (3)
Weight, g/mol:	277.153875
ΔH_f, kcal/mol:	-118.86
Dipole, Da:	3.12
IP(EA), eV:	-8.72(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,5,9-trimethyl-4,5,7,8,12-pentazatricyclo[6.4.0.02,6]dodeca-1(12),2,6-triene-10-carboxylate

Drug info:

PubChemData

Smile

CCC1=CNN2C1=NCCC2C(F)(F)F

DOS

IR

Vibrations