Geometry & MOs

Info

ID:	312738
PubChem CID:	126607668
Reduced:	FON9C25H26 (1)
Stoich.:	ABC9D25E26 (1)
Weight, g/mol:	473.208785
ΔH_f, kcal/mol:	130.01
Dipole, Da:	4.49
IP(EA), eV:	-8.34(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[5-[4-(2-cyanoethyl)piperazin-1-yl]-3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]formamide

Drug info:

PubChemData

Smile

CNC1=CN2C(=N1)C=CC(=N2)C3=C(N(N=C3C4=CC=C(C=C4)F)C)N5CCN(CC5)CC6=NOC=C6

DOS

IR

Vibrations