Geometry & MOs

Info

ID:	422970
PubChem CID:	135118706
Reduced:	F2O2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	332.246378
ΔH_f, kcal/mol:	-144.45
Dipole, Da:	3.02
IP(EA), eV:	-9.51(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl-methylamino]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC=C(C=C4)OC(F)F

DOS

IR

Vibrations