Geometry & MOs

Info

ID:	299491
PubChem CID:	117686963
Reduced:	O8C65H68 (1)
Stoich.:	A8B65C68 (1)
Weight, g/mol:	381.12774
ΔH_f, kcal/mol:	-191.69
Dipole, Da:	5.04
IP(EA), eV:	-8.34(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-fluoro-4-quinolin-3-ylphenyl)methyl]quinoxalin-2-one

Drug info:

Smile

C/C=C(\C=C/C(=C)C1C2=C(C=C(C(=C2)C(C3=C(C=C(C(=C3)C(C4=CC(=C(C=C4O)O)C(C5=CC1=C(C=C5O)O)C6=CC=C(C=C6)C(C)C)C7=CC=C(C=C7)C(C)C)O)O)C8=CC=C(C=C8)C(C)C)O)O)/C(C)C

DOS

IR

Vibrations