Geometry & MOs

Info

ID:	298081
PubChem CID:	117647462
Reduced:	FO2N9C20H24 (1)
Stoich.:	AB2C9D20E24 (1)
Weight, g/mol:	485.255066
ΔH_f, kcal/mol:	-18.2
Dipole, Da:	6.74
IP(EA), eV:	-8.63(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(1R,2S)-2-amino-1-cyclobutylpropyl]amino]-5-fluoro-2-[[3-methoxy-1-(2-methoxyethyl)indazol-5-yl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC2=NC(=C(C=C2C(=O)N)F)NC3C[C@H](CC[C@@H]3N)O)N4N=CC=N4

DOS

IR

Vibrations