Geometry & MOs

Info

ID:	66050
PubChem CID:	46488324
Reduced:	ClFSN2O2H20C22 (1)
Stoich.:	ABCD2E2F20G22 (1)
Weight, g/mol:	340.226312
ΔH_f, kcal/mol:	-88.9
Dipole, Da:	5.63
IP(EA), eV:	-8.49(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-5-methyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)NC(=O)C2=C(C=C(C=C2)F)Cl)C(=O)NC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations