Geometry & MOs

Info

ID:	184844
PubChem CID:	77219519
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	29.01
Dipole, Da:	7.3
IP(EA), eV:	-9.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(2-cyano-4-methoxyphenyl)pyrrolidin-3-yl]amino]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1(CCNC1)C2=C(C=C(C=C2)C3=CC=CC=C3)C#N)N

DOS

IR

Vibrations