Geometry & MOs

Info

ID:	169174
PubChem CID:	75070042
Reduced:	ClN3O6H22C24 (1)
Stoich.:	AB3C6D22E24 (1)
Weight, g/mol:	179.076871
ΔH_f, kcal/mol:	-216.89
Dipole, Da:	5.32
IP(EA), eV:	-8.65(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-thiophen-2-yl-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)NC(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NC(CCC(=O)O)C(=O)O

DOS

IR

Vibrations