Geometry & MOs

Info

ID:	182602
PubChem CID:	76912069
Reduced:	FON3C16H26 (1)
Stoich.:	ABC3D16E26 (1)
Weight, g/mol:	271.119501
ΔH_f, kcal/mol:	-51.36
Dipole, Da:	2.48
IP(EA), eV:	-8.66(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,4-dimethyl-6-(2-phenylcyclopropyl)imino-1,2,4-triazin-2-ium-3,5-dione

Drug info:

PubChemData

Smile

CCCCN(CC1=C(C=C(C=C1)C(=NO)N)F)C(C)CC

DOS

IR

Vibrations