Geometry & MOs

Info

ID:	421160
PubChem CID:	135115488
Reduced:	ON2C19H26 (1)
Stoich.:	AB2C19D26 (1)
Weight, g/mol:	321.174022
ΔH_f, kcal/mol:	-20.23
Dipole, Da:	4.37
IP(EA), eV:	-9.23(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-(2-fluoro-4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CCC(CC)N[C@@H]1COC[C@H]1CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations