Geometry & MOs

Info

ID:	154431
PubChem CID:	56313867
Reduced:	FN3O3C24H28 (1)
Stoich.:	AB3C3D24E28 (1)
Weight, g/mol:	428.239911
ΔH_f, kcal/mol:	-94.6
Dipole, Da:	2.74
IP(EA), eV:	-8.85(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-[4-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1CN2CCOCC2)C(=O)/C=C/C3=CC(=C(C=C3)OC4=CN=CC=C4)F

DOS

IR

Vibrations