Geometry & MOs

Info

ID:	233462
PubChem CID:	90944707
Reduced:	BrN4H11C13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	389.148789
ΔH_f, kcal/mol:	102.37
Dipole, Da:	3.06
IP(EA), eV:	-8.41(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-aminoindol-2-ylidene)-6-(morpholine-4-carbonyl)-1,4-dihydroquinoxalin-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN3C=C(C=CC3=N2)Br)NN

DOS

IR

Vibrations