Geometry & MOs

Info

ID:	299032
PubChem CID:	117668523
Reduced:	O2N3C12H25 (1)
Stoich.:	A2B3C12D25 (1)
Weight, g/mol:	452.244836
ΔH_f, kcal/mol:	-131.36
Dipole, Da:	2.05
IP(EA), eV:	-9.64(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1R)-3-[[5-fluoro-2-(1-methylpyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]-2-methylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC)NC(=O)C(C)(C(C)C)N

DOS

IR

Vibrations