Geometry & MOs

Info

ID:	153472
PubChem CID:	56312689
Reduced:	FN3O3C26H26 (1)
Stoich.:	AB3C3D26E26 (1)
Weight, g/mol:	428.159074
ΔH_f, kcal/mol:	-83.4
Dipole, Da:	1.29
IP(EA), eV:	-8.66(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations