Geometry & MOs

Info

ID:	427632
PubChem CID:	135160851
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	465.203699
ΔH_f, kcal/mol:	-5.37
Dipole, Da:	2.77
IP(EA), eV:	-8.42(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-N-(2-fluoro-3,5-dimethoxyphenyl)-3-hydrazinyl-1-N-[3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]prop-2-ene-1,2-diamine

Drug info:

PubChemData

Smile

CN=C/C(=C\N)/C1=CN=C2C=CC(=NC2=N1)N(CCCO)C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations