Geometry & MOs

Info

ID:	288550
PubChem CID:	104319366
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	324.04734
ΔH_f, kcal/mol:	-61.51
Dipole, Da:	3.15
IP(EA), eV:	-8.16(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C(=O)C3=CNC4=C3C=CC(=C4)N)O

DOS

IR

Vibrations