Geometry & MOs

Info

ID:	440667
PubChem CID:	135230870
Reduced:	ON3F4H25C26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	460.172225
ΔH_f, kcal/mol:	-129.97
Dipole, Da:	4.01
IP(EA), eV:	-8.29(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridin-3-yl]cyclopentyl]methanediol

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CC(C)(C)F)C3=C(C=C(C=C3F)C(=O)N=C4CC4F)F)NC5=CC=CC=C25

DOS

IR

Vibrations