Geometry & MOs

Info

ID:	211466
PubChem CID:	80953301
Reduced:	ClSN3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	296.140389
ΔH_f, kcal/mol:	31.56
Dipole, Da:	4.35
IP(EA), eV:	-9.09(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butyl-6-chloropyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CS1)N(C)C2=CC(=NC(=N2)C(C)(C)C)Cl

DOS

IR

Vibrations