Geometry & MOs

Info

ID:	208312
PubChem CID:	80516888
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	216.039573
ΔH_f, kcal/mol:	-57.64
Dipole, Da:	3.67
IP(EA), eV:	-8.96(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyano-1,2,4-triazol-1-yl)pyridazine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C(C)(C)C)N(C)C1=C(C=CN=N1)C(=O)O

DOS

IR

Vibrations