Geometry & MOs

Info

ID:	231017
PubChem CID:	87572464
Reduced:	BrClN3O3C16H21 (1)
Stoich.:	ABC3D3E16F21 (1)
Weight, g/mol:	575.227247
ΔH_f, kcal/mol:	-93.65
Dipole, Da:	10.08
IP(EA), eV:	-9.06(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C(C1(CC1)CN(C=O)C2=CC(=C(N=C2)Cl)Br)NC(=O)O

DOS

IR

Vibrations