Geometry & MOs

Info

ID:	25375
PubChem CID:	623904
Reduced:	OF3C5H5 (2)
Stoich.:	AB3C5D5 (2)
Weight, g/mol:	430.167096
ΔH_f, kcal/mol:	-360.71
Dipole, Da:	3.19
IP(EA), eV:	-9.46(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[amino(methyl)amino]-6-methyl-4-[(triphenyl-lambda5-phosphanylidene)amino]-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

COC1=C(C2(CCC1(C(C2(F)F)(F)F)F)F)OC

DOS

IR

Vibrations