Geometry & MOs

Info

ID:	125176
PubChem CID:	50913443
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-8.81
Dipole, Da:	7.64
IP(EA), eV:	-9.09(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-4-[[(1S,2R)-2-methylcyclohexyl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC2=C(C=NN3C2=CC=C3[N+](=O)[O-])C(=O)N

DOS

IR

Vibrations