Geometry & MOs

Info

ID:	195837
PubChem CID:	78741328
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	407.148121
ΔH_f, kcal/mol:	-174.93
Dipole, Da:	2.72
IP(EA), eV:	-8.44(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-cyanoanilino)-2-oxoethyl] 1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)OCC(=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations