Geometry & MOs

Info

ID:	326230
PubChem CID:	126687207
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	428.213364
ΔH_f, kcal/mol:	-45.71
Dipole, Da:	3.98
IP(EA), eV:	-9.11(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-[(3aR,6aS)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-2-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CC1(CC3=CC=CC=C3)O)CCC4=NNC(=O)C=C4

DOS

IR

Vibrations