Geometry & MOs

Info

ID:	299494
PubChem CID:	117686983
Reduced:	ON5H15C21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	353.12766
ΔH_f, kcal/mol:	110.38
Dipole, Da:	4.12
IP(EA), eV:	-9.06(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-(1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-b]pyrazin-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=CC3=C(C=C2)NN=C3)CN4C5=C(N=CC=C5)N=CC4=O

DOS

IR

Vibrations