Geometry & MOs

Info

ID:	298084
PubChem CID:	117647472
Reduced:	FON7C17H22 (1)
Stoich.:	ABC7D17E22 (1)
Weight, g/mol:	412.188383
ΔH_f, kcal/mol:	-27.36
Dipole, Da:	3.76
IP(EA), eV:	-8.88(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[[2-(triazol-2-yl)pyrimidin-5-yl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)NC2=NC(=C(C=C2C(=O)N)F)NC3CCCC[C@@H]3N

DOS

IR

Vibrations