Geometry & MOs

Info

ID:	187377
PubChem CID:	77566773
Reduced:	ClFN8C24H30 (1)
Stoich.:	ABC8D24E30 (1)
Weight, g/mol:	499.151049
ΔH_f, kcal/mol:	64.91
Dipole, Da:	4.89
IP(EA), eV:	-8.33(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-chloro-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[1-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC(C2=CC=C(C=C2)F)NC3=NC=C(C(=N3)NC4=NNC(=C4)C5CC5)Cl

DOS

IR

Vibrations