Geometry & MOs

Info

ID:	133929
PubChem CID:	51614979
Reduced:	O3N6C26H38 (1)
Stoich.:	A3B6C26D38 (1)
Weight, g/mol:	382.05282
ΔH_f, kcal/mol:	-98.58
Dipole, Da:	8.01
IP(EA), eV:	-8.74(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-acetyl-2-(4-bromophenyl)-1-[2-(2-hydroxyethylazaniumyl)ethyl]-5-oxo-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CC1=NC2CC(CCC2N1C3CCCCC3)C(=O)OCC4=NN=C5N4C6CCCCC6C(=O)N5C

DOS

IR

Vibrations