Geometry & MOs

Info

ID:	243943
PubChem CID:	99302937
Reduced:	O4N6C21H30 (1)
Stoich.:	A4B6C21D30 (1)
Weight, g/mol:	406.246772
ΔH_f, kcal/mol:	-102.79
Dipole, Da:	4.42
IP(EA), eV:	-8.46(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CN(CCC(=O)OCC)C(=O)C2=C(N(N=C2)C3=NNC(=O)C=C3)C

DOS

IR

Vibrations