Geometry & MOs

Info

ID:	164311
PubChem CID:	74382819
Reduced:	OF3N5C20H22 (1)
Stoich.:	AB3C5D20E22 (1)
Weight, g/mol:	374.09681
ΔH_f, kcal/mol:	-117.81
Dipole, Da:	8.1
IP(EA), eV:	-9.23(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-amino-3-(2-chlorophenyl)propan-2-yl]-5-(2-methylpyrazol-3-yl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C2=CC=NN2C)C(=O)NC(CC3=CC=CC=C3C(F)(F)F)CN

DOS

IR

Vibrations