Geometry & MOs

Info

ID:	366413
PubChem CID:	127319902
Reduced:	O3N4C16H28 (1)
Stoich.:	A3B4C16D28 (1)
Weight, g/mol:	337.157246
ΔH_f, kcal/mol:	-167.21
Dipole, Da:	3.27
IP(EA), eV:	-9.4(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCCC(C1)C(=O)NC2CCN(C2)C(=O)N

DOS

IR

Vibrations