Geometry & MOs

Info

ID:	181992
PubChem CID:	76823442
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	463.175673
ΔH_f, kcal/mol:	5.77
Dipole, Da:	5.75
IP(EA), eV:	-8.22(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-amino-5-(4-pyridin-4-ylpiperazine-1-carbonyl)indol-2-ylidene]quinoxalin-2-one

Drug info:

PubChemData

Smile

CN(CCOC)CCOC1=CC2=C(C=C1)NC(=C2)C3C(=O)N=C4C=CC=CC4=N3

DOS

IR

Vibrations