Geometry & MOs

Info

ID:	321900
PubChem CID:	126667243
Reduced:	ClSN3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	430.222957
ΔH_f, kcal/mol:	66.36
Dipole, Da:	5.74
IP(EA), eV:	-8.44(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[4-(1H-indol-7-yl)-1,3,5-triazin-2-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)benzene-1,3-diamine

Drug info:

PubChemData

Smile

CC1=CC2=C(S1)N(C(=C2C3=NC(=NC=C3)Cl)C)C

DOS

IR

Vibrations