Geometry & MOs

Info

ID:	224214
PubChem CID:	85340151
Reduced:	O2S2N3C11H13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	292.132411
ΔH_f, kcal/mol:	-29.93
Dipole, Da:	6.18
IP(EA), eV:	-9.06(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1H-indol-3-yl)-6-phenyl-1,2,4-triazinan-3-one

Drug info:

PubChemData

Smile

CC(CN1C(=O)C2C=CC=NC2=NC1=O)(CS)S

DOS

IR

Vibrations