Geometry & MOs

Info

ID:	174029
PubChem CID:	75713323
Reduced:	N2O3C14H17 (2)
Stoich.:	A2B3C14D17 (2)
Weight, g/mol:	496.232185
ΔH_f, kcal/mol:	-154.41
Dipole, Da:	8.25
IP(EA), eV:	-9.77(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(butylamino)-1-(4-nitrophenyl)-2-oxoethyl]-methylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC2CCCCC2)C(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations