Geometry & MOs

Info

ID:	430357
PubChem CID:	135170421
Reduced:	F5C10H12 (2)
Stoich.:	A5B10C12 (2)
Weight, g/mol:	139.110947
ΔH_f, kcal/mol:	-561.61
Dipole, Da:	2.73
IP(EA), eV:	-8.91(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2,3-dimethyl-5H-1,2,4-triazine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CCCCC(C(F)(F)F)(F)F)C)CCCCC(C(F)(F)F)(F)F

DOS

IR

Vibrations