Geometry & MOs

Info

ID:	442685
PubChem CID:	135255749
Reduced:	ClFON6C25H28 (1)
Stoich.:	ABCD6E25F28 (1)
Weight, g/mol:	452.209137
ΔH_f, kcal/mol:	-9.43
Dipole, Da:	4.02
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]cyclohexyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C=CC(=O)N1CCN(CC1)[C@H]2CCC[C@H](C2)NC3=NC=C(C(=N3)C4=CNC5=C4C=CC=C5F)Cl

DOS

IR

Vibrations