Geometry & MOs

Info

ID:	231241
PubChem CID:	87573132
Reduced:	PN2C13H26 (1)
Stoich.:	AB2C13D26 (1)
Weight, g/mol:	482.19455
ΔH_f, kcal/mol:	-18.35
Dipole, Da:	1.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.827427
Charge, e:	0

Chem-info

IUPAC name:

6-[(4-acetamidocyclohexyl)amino]-N-(2-chloropyridin-4-yl)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C[N+](=C1)C[P@](C)C(C)(C)C

DOS

IR

Vibrations