Geometry & MOs

Info

ID:	243945
PubChem CID:	99302940
Reduced:	N4O5C19H28 (1)
Stoich.:	A4B5C19D28 (1)
Weight, g/mol:	417.262757
ΔH_f, kcal/mol:	-142.73
Dipole, Da:	2.28
IP(EA), eV:	-8.85(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-benzamidobutanoyl-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCC[C@@H]1CN(CCC(=O)OCC)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations