Geometry & MOs

Info

ID:	288560
PubChem CID:	104319744
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	358.07145
ΔH_f, kcal/mol:	-131.57
Dipole, Da:	5.03
IP(EA), eV:	-8.23(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)CC(COC3=CC=CC(=C3)N)O)O

DOS

IR

Vibrations