Geometry & MOs

Info

ID:	329695
PubChem CID:	127246562
Reduced:	ON6C15H20 (1)
Stoich.:	AB6C15D20 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	29.76
Dipole, Da:	5.83
IP(EA), eV:	-9.62(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C(C)(C)N3C=NC=N3

DOS

IR

Vibrations