Geometry & MOs

Info

ID:	344616
PubChem CID:	127268200
Reduced:	NC2H3 (7)
Stoich.:	AB2C3 (7)
Weight, g/mol:	273.170194
ΔH_f, kcal/mol:	90.87
Dipole, Da:	5.67
IP(EA), eV:	-8.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine

Drug info:

PubChemData

Smile

CCN1C(=NN=C1CN2CCN(CC2)C3=NN=CC=C3)C

DOS

IR

Vibrations