Geometry & MOs

Info

ID:	427348
PubChem CID:	135157485
Reduced:	SO3N6C27H36 (1)
Stoich.:	AB3C6D27E36 (1)
Weight, g/mol:	452.197217
ΔH_f, kcal/mol:	24.56
Dipole, Da:	4.12
IP(EA), eV:	-6.74(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluoro-3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine

Drug info:

PubChemData

Smile

CC(C)(C)S(C)(C)CCOCN1C=C(C=N1)C2=CN=C3C=CC(=NC3=N2)NC4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations