Geometry & MOs

Info

ID:	170660
PubChem CID:	75264394
Reduced:	O3N4H20C23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	310.179361
ΔH_f, kcal/mol:	27.4
Dipole, Da:	3.55
IP(EA), eV:	-9.21(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-aminophenyl)-6-(4-propan-2-ylphenyl)-1,2,4-triazinan-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=NOCC(=O)NC3=CC=CC(=C3)C#N)N

DOS

IR

Vibrations