Geometry & MOs

Info

ID:	397373
PubChem CID:	135030125
Reduced:	NO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-143.73
Dipole, Da:	4.92
IP(EA), eV:	-9.49(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E,2R)-2-benzyl-2-nitro-6-oxo-6-pyrrol-1-ylhex-4-enoate

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)C(=O)OCC2=CC=CO2

DOS

IR

Vibrations