Geometry & MOs

Info

ID:	269254
PubChem CID:	103616587
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	305.088578
ΔH_f, kcal/mol:	-98.55
Dipole, Da:	3.56
IP(EA), eV:	-8.89(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluoro-4-methoxyphenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

COCCOCC(=O)N1CCCC1C2=CSC=C2

DOS

IR

Vibrations