Geometry & MOs

Info

ID:	157844
PubChem CID:	56437568
Reduced:	N4O6C23H24 (1)
Stoich.:	A4B6C23D24 (1)
Weight, g/mol:	362.156575
ΔH_f, kcal/mol:	-165.47
Dipole, Da:	5.4
IP(EA), eV:	-8.94(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NC(C#N)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations