Geometry & MOs

Info

ID:	414765
PubChem CID:	135087727
Reduced:	FN3O3C18H22 (1)
Stoich.:	AB3C3D18E22 (1)
Weight, g/mol:	329.235479
ΔH_f, kcal/mol:	-67.59
Dipole, Da:	5.08
IP(EA), eV:	-9.06(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3-(3,5-dimethylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)N(C)CC2CC2)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations