Geometry & MOs

Info

ID:	153998
PubChem CID:	56313358
Reduced:	FSN3O3C23H26 (1)
Stoich.:	ABC3D3E23F26 (1)
Weight, g/mol:	366.141594
ΔH_f, kcal/mol:	-88.59
Dipole, Da:	1.83
IP(EA), eV:	-8.72(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-cyanopyridin-2-yl)amino]ethyl]-1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CSCC1(CNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)N4CCOCC4

DOS

IR

Vibrations