Geometry & MOs

Info

ID:	49101
PubChem CID:	11528711
Reduced:	OF3H11C12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	228.101111
ΔH_f, kcal/mol:	-148.54
Dipole, Da:	5.33
IP(EA), eV:	-9.82(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-indol-3-ylmethyl)-4,5-dihydro-2H-1,2,4-triazin-3-one

Drug info:

PubChemData

Smile

CC(C)(C#CC1=CC=C(C=C1)C(F)(F)F)O

DOS

IR

Vibrations