Geometry & MOs

Info

ID:	288551
PubChem CID:	104319369
Reduced:	BrN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	-78.46
Dipole, Da:	7.04
IP(EA), eV:	-8.84(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-2,6-dimethylphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C(=O)C3=C(C=CC(=C3)N)Br)O

DOS

IR

Vibrations