Geometry & MOs

Info

ID:	321901
PubChem CID:	126667245
Reduced:	ON8C23H26 (1)
Stoich.:	AB8C23D26 (1)
Weight, g/mol:	446.254258
ΔH_f, kcal/mol:	86.97
Dipole, Da:	2.0
IP(EA), eV:	-8.2(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methyl-4-N-[4-(1-methylindol-7-yl)-1,3,5-triazin-2-yl]benzene-1,2,4-triamine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC(=C(C=C2N)NC3=NC=NC(=N3)C4=CC=CC5=C4NC=C5)OC

DOS

IR

Vibrations