Geometry & MOs

Info

ID:	298078
PubChem CID:	117647455
Reduced:	FON8C21H23 (1)
Stoich.:	ABC8D21E23 (1)
Weight, g/mol:	466.260486
ΔH_f, kcal/mol:	35.02
Dipole, Da:	4.26
IP(EA), eV:	-8.76(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-methyl-3-pyrrolidin-1-ylindazol-5-yl)amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1C2C1CC(C(C2)N)NC3=C(C=C(C(=N3)NC4=CC(=CN=C4)N5C=CC=N5)C(=O)N)F

DOS

IR

Vibrations