Geometry & MOs

Info

ID:	153562
PubChem CID:	56312810
Reduced:	F2O2N3H23C24 (1)
Stoich.:	A2B2C3D23E24 (1)
Weight, g/mol:	408.213696
ΔH_f, kcal/mol:	-67.76
Dipole, Da:	4.48
IP(EA), eV:	-9.09(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(CNC(=O)/C=C/C1=CC(=C(C=C1)OC2=CN=CC=C2)F)C3=CC(=CC=C3)F

DOS

IR

Vibrations