Geometry & MOs

Info

ID:	337370
PubChem CID:	127257055
Reduced:	NO3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	415.178358
ΔH_f, kcal/mol:	-132.94
Dipole, Da:	2.77
IP(EA), eV:	-9.63(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-benzyl-3,4-dioxocyclohexa-1,5-dien-1-yl)-1-phenylethyl] pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)COC(=O)C1CCNC1

DOS

IR

Vibrations