Geometry & MOs

Info

ID:	432099
PubChem CID:	135172231
Reduced:	N5C6H7 (1)
Stoich.:	A5B6C7 (1)
Weight, g/mol:	322.165443
ΔH_f, kcal/mol:	106.46
Dipole, Da:	2.29
IP(EA), eV:	-10.47(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propan-2-yl-2-[2-([1,2,4]triazolo[1,5-b]pyridazin-6-yl)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCC1=NN2C(=NC=N2)C=N1

DOS

IR

Vibrations