Geometry & MOs

Info

ID:	341504
PubChem CID:	127264197
Reduced:	BrClNC9H13 (1)
Stoich.:	ABCD9E13 (1)
Weight, g/mol:	219.012077
ΔH_f, kcal/mol:	-32.62
Dipole, Da:	3.26
IP(EA), eV:	-10.32(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S,2S)-2-aminocyclopropyl]thiophene-2-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=N1)CC)Br.Cl

DOS

IR

Vibrations