Geometry & MOs

Info

ID:	182537
PubChem CID:	76901740
Reduced:	O2N7H21C24 (1)
Stoich.:	A2B7C21D24 (1)
Weight, g/mol:	506.289306
ΔH_f, kcal/mol:	71.87
Dipole, Da:	7.76
IP(EA), eV:	-8.3(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-1-[4-[8-(8-bicyclo[4.3.1]decanyl)-8-azabicyclo[3.2.1]octan-3-yl]-3-oxoquinoxalin-2-yl]ethylideneamino]oxyacetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC3=NNN=C3C=C2)CNC4=CN=C5C(=C4)C=C(N5)C(=O)C

DOS

IR

Vibrations