Geometry & MOs

Info

ID:	329696
PubChem CID:	127246563
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-1.23
Dipole, Da:	6.25
IP(EA), eV:	-9.11(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)CC3=CC=C(S3)C

DOS

IR

Vibrations