Geometry & MOs

Info

ID:	382737
PubChem CID:	134974062
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	451.251129
ΔH_f, kcal/mol:	-41.54
Dipole, Da:	1.78
IP(EA), eV:	-8.98(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS)-3-[(1R)-1-(dibenzylamino)-2-phenylmethoxyethyl]-4,5,6,6a-tetrahydro-1H-pentalen-2-one

Drug info:

PubChemData

Smile

C/C(=N\OCC(COC1=CC=CC=C1)O)/C2=CC=CC=C2

DOS

IR

Vibrations