Geometry & MOs

Info

ID:	419112
PubChem CID:	135107531
Reduced:	ON4C19H28 (1)
Stoich.:	AB4C19D28 (1)
Weight, g/mol:	379.214744
ΔH_f, kcal/mol:	-21.26
Dipole, Da:	9.1
IP(EA), eV:	-8.54(0.26)
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]-[4-(phenoxymethyl)phenyl]methanone

Drug info:

PubChemData

Smile

CN(CCC1=NC2=CC=CC=C2N1)CC(=O)N(C)C3CCCCC3

DOS

IR

Vibrations