Geometry & MOs

Info

ID:	368006
PubChem CID:	127326388
Reduced:	SN4O4C16H26 (1)
Stoich.:	AB4C4D16E26 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	-140.65
Dipole, Da:	4.37
IP(EA), eV:	-8.83(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpyrimidin-2-yl)phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NC2=NC(=CS2)CN3CCOCC3)OCCO

DOS

IR

Vibrations