Geometry & MOs

Info

ID:	218312
PubChem CID:	85089159
Reduced:	F3O3N7C18H28 (1)
Stoich.:	A3B3C7D18E28 (1)
Weight, g/mol:	451.235909
ΔH_f, kcal/mol:	-195.22
Dipole, Da:	5.08
IP(EA), eV:	-9.38(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-4-pyrimidin-4-ylpyrazolidin-3-yl]-N-propan-2-ylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CCCCCC(CN(C=O)O)C(=O)NNC1=NC=C(C(=N1)C(F)(F)F)N2CCNCC2

DOS

IR

Vibrations