Geometry & MOs

Info

ID:	189043
PubChem CID:	77807848
Reduced:	ClO2N6C34H45 (1)
Stoich.:	AB2C6D34E45 (1)
Weight, g/mol:	459.97852
ΔH_f, kcal/mol:	-46.14
Dipole, Da:	5.32
IP(EA), eV:	-8.99(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-bromo-8-nitro-2,3-dioxoquinoxalin-5-yl)methyl]piperidine-4-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(C)C(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)N3CCC(CC3)(CN4C=NC=N4)C5CCCCC5

DOS

IR

Vibrations