Geometry & MOs

Info

ID:	329715
PubChem CID:	127246582
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	313.124883
ΔH_f, kcal/mol:	7.12
Dipole, Da:	6.16
IP(EA), eV:	-9.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=NNC(=C3)C(C)(C)C

DOS

IR

Vibrations