Geometry & MOs

Info

ID:	125205
PubChem CID:	50914992
Reduced:	SN6O7C44H62 (1)
Stoich.:	AB6C7D44E62 (1)
Weight, g/mol:	380.156101
ΔH_f, kcal/mol:	-165.62
Dipole, Da:	4.89
IP(EA), eV:	-7.16(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-difluoro-6-[(6-piperazin-1-ylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline

Drug info:

PubChemData

Smile

CCCC[C@@H](C)N(CCNCCC1=C2C(=C(C=C1)O)NC(=O)CO2)C(=O)CCOCCC3=CC=C(C=C3)CCN4CCC5(CC4)CN(CCO5)C(=O)C6=CSC(=N6)C

DOS

IR

Vibrations