Geometry & MOs

Info

ID:	139223
PubChem CID:	52494053
Reduced:	N2O5C25H28 (1)
Stoich.:	A2B5C25D28 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-153.1
Dipole, Da:	3.17
IP(EA), eV:	-8.38(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide

Drug info:

PubChemData

Smile

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CN3CCC[C@@H]3C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations