Geometry & MOs

Info

ID:	288552
PubChem CID:	104319486
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-141.25
Dipole, Da:	7.69
IP(EA), eV:	-9.12(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1S(=O)(=O)N2CC3CCC(C3C2)O)C)N

DOS

IR

Vibrations