Geometry & MOs

Info

ID:	427666
PubChem CID:	135161070
Reduced:	N6F7C22H25 (1)
Stoich.:	A6B7C22D25 (1)
Weight, g/mol:	518.194374
ΔH_f, kcal/mol:	-286.25
Dipole, Da:	2.69
IP(EA), eV:	-8.84(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-2-phosphanylanilino)-1-(1-methylpyrazol-4-yl)ethanol

Drug info:

PubChemData

Smile

CCCC(=C)C1(C(=C)NC2=NC(=NC(=C21)N)C3=NN(C(=C3)CC(F)F)CCC(C(F)(F)F)(F)F)C

DOS

IR

Vibrations