Geometry & MOs

Info

ID:	329781
PubChem CID:	127246648
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-1.07
Dipole, Da:	6.32
IP(EA), eV:	-9.14(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)C(=O)CC3=CC=CS3)C

DOS

IR

Vibrations