Geometry & MOs

Info

ID:	240904
PubChem CID:	93618130
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	258.082684
ΔH_f, kcal/mol:	-69.05
Dipole, Da:	5.67
IP(EA), eV:	-9.0(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-4-yl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)[C@H]2CC(=O)N(C2)CC3=CC=CO3)C4=CSC=C4

DOS

IR

Vibrations