Geometry & MOs

Info

ID:	443559
PubChem CID:	135259318
Reduced:	O2N5C22H23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	299.168543
ΔH_f, kcal/mol:	-29.92
Dipole, Da:	3.58
IP(EA), eV:	-8.62(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]cyclopent-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=NC=N2)NC3=CC(=C4C(=O)NC5(N4C3=O)CCCCC5)C

DOS

IR

Vibrations