Geometry & MOs

Info

ID:	361417
PubChem CID:	127303315
Reduced:	ON6C18H26 (1)
Stoich.:	AB6C18D26 (1)
Weight, g/mol:	275.185844
ΔH_f, kcal/mol:	13.25
Dipole, Da:	9.52
IP(EA), eV:	-8.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

Drug info:

PubChemData

Smile

CCC1=CC(=O)N=C(N1)C2=CN=C(C=C2)NCC3CN(CCN3C)C

DOS

IR

Vibrations