Geometry & MOs

Info

ID:	371192
PubChem CID:	127344157
Reduced:	OF3N5C14H20 (1)
Stoich.:	AB3C5D14E20 (1)
Weight, g/mol:	387.224595
ΔH_f, kcal/mol:	-177.97
Dipole, Da:	2.65
IP(EA), eV:	-9.34(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-ethylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)N2CCN3C=CN=C3C2)CC(F)(F)F

DOS

IR

Vibrations