Geometry & MOs

Info

ID:	55479
PubChem CID:	17395442
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	323.124547
ΔH_f, kcal/mol:	-42.81
Dipole, Da:	1.22
IP(EA), eV:	-9.24(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-phenyl-1H-pyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN(C)C(=O)C1=CC(=NN1)C2=CC=CC=C2

DOS

IR

Vibrations