Geometry & MOs

Info

ID:	145324
PubChem CID:	53500177
Reduced:	ON6C15H16 (1)
Stoich.:	AB6C15D16 (1)
Weight, g/mol:	302.131366
ΔH_f, kcal/mol:	71.29
Dipole, Da:	1.97
IP(EA), eV:	-9.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-N'-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1-thiophen-2-ylethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC=NC3=C2N=NN3C4=CC=CC=C4)O

DOS

IR

Vibrations