Geometry & MOs

Info

ID:	421532
PubChem CID:	135116171
Reduced:	FO3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	372.241293
ΔH_f, kcal/mol:	-95.02
Dipole, Da:	5.07
IP(EA), eV:	-9.1(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCC3(CC2)CN(C(=O)CCO3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations