Geometry & MOs

Info

ID:	43561
PubChem CID:	10321470
Reduced:	NO3F6C21H21 (1)
Stoich.:	AB3C6D21E21 (1)
Weight, g/mol:	449.147488
ΔH_f, kcal/mol:	-413.46
Dipole, Da:	3.88
IP(EA), eV:	-8.67(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=C(C=C1)C)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations