Geometry & MOs

Info

ID:	240658
PubChem CID:	93616996
Reduced:	N3O3C14H23 (1)
Stoich.:	A3B3C14D23 (1)
Weight, g/mol:	297.093583
ΔH_f, kcal/mol:	-101.56
Dipole, Da:	3.84
IP(EA), eV:	-9.41(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-cyanophenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1OCCNC(=O)NC2=NOC(=C2)C

DOS

IR

Vibrations