Geometry & MOs

Info

ID:	243944
PubChem CID:	99302939
Reduced:	N2O5C22H34 (1)
Stoich.:	A2B5C22D34 (1)
Weight, g/mol:	392.20597
ΔH_f, kcal/mol:	-207.95
Dipole, Da:	4.7
IP(EA), eV:	-8.47(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-amino-3-nitrobenzoyl)-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]amino]propanoate

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1CN(CCC(=O)OCC)C(=O)COC2=CC=C(C=C2)OCC

DOS

IR

Vibrations