Geometry & MOs

Info

ID:	440109
PubChem CID:	135230009
Reduced:	NC15H33 (1)
Stoich.:	AB15C33 (1)
Weight, g/mol:	541.241995
ΔH_f, kcal/mol:	-61.3
Dipole, Da:	1.76
IP(EA), eV:	-9.32(3.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-chloro-6-fluoro-3-(fluoromethyl)phenyl]methyl]-8-methyl-7-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine

Drug info:

PubChemData

Smile

CCC(C)C(C)C(C)(CC(C)N)C(C)(C)C

DOS

IR

Vibrations