Geometry & MOs

Info

ID:	180637
PubChem CID:	76663560
Reduced:	ON2F3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	417.146425
ΔH_f, kcal/mol:	-180.82
Dipole, Da:	4.53
IP(EA), eV:	-9.65(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(4-fluorophenyl)-5-(3-methylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)C(F)(F)F)C2=CC=CC=C2

DOS

IR

Vibrations