Geometry & MOs

Info

ID:	186008
PubChem CID:	77377750
Reduced:	ClON6C18H23 (1)
Stoich.:	ABC6D18E23 (1)
Weight, g/mol:	393.181232
ΔH_f, kcal/mol:	43.37
Dipole, Da:	8.82
IP(EA), eV:	-9.02(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-3-[3-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(2-methoxyethyl)-5a,6,7,8,9,9a-hexahydroimidazo[1,5-a]quinoxalin-4-one

Drug info:

PubChemData

Smile

CC1(CC1)CC2=CN=NN2C3=C4N(C(=O)C5C(N4C=N3)CCCC5Cl)C

DOS

IR

Vibrations