Geometry & MOs

Info

ID:	253296
PubChem CID:	103117478
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	276.119796
ΔH_f, kcal/mol:	15.93
Dipole, Da:	5.98
IP(EA), eV:	-8.31(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[6-(trifluoromethyl)piperidin-3-yl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)NCC2=CC=CC3=C2NCCC3

DOS

IR

Vibrations