Geometry & MOs

Info

ID:	390234
PubChem CID:	134997903
Reduced:	N3O4H15C18 (1)
Stoich.:	A3B4C15D18 (1)
Weight, g/mol:	364.109089
ΔH_f, kcal/mol:	-2.32
Dipole, Da:	9.73
IP(EA), eV:	-8.64(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(chloromethyl)-6-(4-methoxyphenyl)-1,2,4-triazin-5-yl]-1-methylindole

Drug info:

PubChemData

Smile

COC1=CC2=[N+](N=C3C(=C2C=C1)C=C4C=C(C(=CC4=N3)OC)OC)[O-]

DOS

IR

Vibrations