Geometry & MOs

Info

ID:	449592
PubChem CID:	135299932
Reduced:	ClSN4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	242.199428
ΔH_f, kcal/mol:	112.3
Dipole, Da:	4.08
IP(EA), eV:	-8.64(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,6aS)-5-(methylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2-methylpropan-2-yl)oxy]methanol

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NCC(=N)N2C(=N)C)C3=CC=C(C=C3)Cl)C#CC(C)C

DOS

IR

Vibrations