Geometry & MOs

Info

ID:	22548
PubChem CID:	597667
Reduced:	ON7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	401.196408
ΔH_f, kcal/mol:	66.87
Dipole, Da:	5.87
IP(EA), eV:	-8.12(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-(1H-indol-3-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)N)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations