Geometry & MOs

Info

ID:	231212
PubChem CID:	87573007
Reduced:	NSiC16H28 (1)
Stoich.:	ABC16D28 (1)
Weight, g/mol:	567.247314
ΔH_f, kcal/mol:	16.3
Dipole, Da:	5.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.804872
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(/C(=C(/C)\[Si])/C)N(C1CCCC1)C2CCCC2

DOS

IR

Vibrations