Geometry & MOs

Info

ID:	290381
PubChem CID:	104439977
Reduced:	FION2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-62.04
Dipole, Da:	4.35
IP(EA), eV:	-9.04(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-methoxy-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC1(CCNCC1)CNC(=O)C2=C(C=C(C=C2)F)I

DOS

IR

Vibrations