Geometry & MOs

Info

ID:	299033
PubChem CID:	117669262
Reduced:	FON8C23H29 (1)
Stoich.:	ABC8D23E29 (1)
Weight, g/mol:	485.210614
ΔH_f, kcal/mol:	-2.31
Dipole, Da:	4.1
IP(EA), eV:	-8.9(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,3S)-3-[[2-(5-chloro-1-methylindazol-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1C(=O)N[C@@H]2CCCC(C2)NC3=NC(=NC=C3F)C4=NN(C5=C4C=CC=N5)C

DOS

IR

Vibrations