Geometry & MOs

Info

ID:	315560
PubChem CID:	126627676
Reduced:	ON3C7H9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	396.213455
ΔH_f, kcal/mol:	-19.64
Dipole, Da:	4.57
IP(EA), eV:	-8.39(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1S,2R)-2-aminocyclohexyl]amino]-5-[[6-(triazol-1-yl)pyridin-2-yl]amino]-1,6-dihydropyridazine-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=N1)NC2=CC(=NN=C2C(=O)N)N)OC

DOS

IR

Vibrations