Geometry & MOs

Info

ID:	306056
PubChem CID:	125001468
Reduced:	FO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-30.37
Dipole, Da:	5.15
IP(EA), eV:	-9.47(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=NC(=CN=C2)CC[C@H]3CCCN3C(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations