Geometry & MOs

Info

ID:	46732
PubChem CID:	10526750
Reduced:	O4C27H44 (1)
Stoich.:	A4B27C44 (1)
Weight, g/mol:	433.160183
ΔH_f, kcal/mol:	-245.28
Dipole, Da:	4.25
IP(EA), eV:	-9.61(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC(=O)[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)CC[C@@H](C)CO

DOS

IR

Vibrations