Geometry & MOs

Info

ID:	186507
PubChem CID:	77439306
Reduced:	ON2F4C25H30 (1)
Stoich.:	AB2C4D25E30 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-241.42
Dipole, Da:	5.29
IP(EA), eV:	-8.77(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-7-methoxy-5a,6,7,8,9,9a-hexahydropyrrolo[1,2-a]quinoxalin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C(CCCN2CCCCC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations