Geometry & MOs

Info

ID:	81838
PubChem CID:	49855236
Reduced:	FS2N5O5C33H40 (1)
Stoich.:	AB2C5D5E33F40 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-198.33
Dipole, Da:	5.69
IP(EA), eV:	-8.87(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)C(=O)N2CCOC3(C2)CCN(CC3)CC4=CC(=C(C=C4)F)CCNC[C@@H](C5=C6C(=C(C=C5)O)NC(=O)S6)O

DOS

IR

Vibrations