Geometry & MOs

Info

ID:	220608
PubChem CID:	85197959
Reduced:	ClO3N4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	334.062139
ΔH_f, kcal/mol:	-60.55
Dipole, Da:	6.18
IP(EA), eV:	-9.54(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-6-(2-methylindol-3-ylidene)-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C2=NC3=NC(=O)C=CC3C(=C2)Cl

DOS

IR

Vibrations