Geometry & MOs

Info

ID:	160665
PubChem CID:	57389370
Reduced:	O7C31H46 (1)
Stoich.:	A7B31C46 (1)
Weight, g/mol:	452.20124
ΔH_f, kcal/mol:	-317.86
Dipole, Da:	4.44
IP(EA), eV:	-8.72(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,6R)-3-(6-fluoroquinoxalin-2-yl)-3,8-diazabicyclo[4.2.0]octan-8-yl]-(5-methyl-2-phenylphenyl)methanone

Drug info:

PubChemData

Smile

C[C@@H]\1CC2CCCC(O2)CC3CC(CC(O3)CC(=O)OC(C(/C=C1)C)/C=C/C=C\C=C(/C)\CC(=O)OC)O

DOS

IR

Vibrations