Geometry & MOs

Info

ID:	159178
PubChem CID:	57264326
Reduced:	SN2O3C27H34 (1)
Stoich.:	AB2C3D27E34 (1)
Weight, g/mol:	185.105193
ΔH_f, kcal/mol:	-57.99
Dipole, Da:	2.35
IP(EA), eV:	-8.32(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(ethoxyamino)methylidene]-2,2-dimethylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCSC1=CC2=C(C=C1C#CC3=NN=C(C=C3)CC(=O)OCC)C(CCO2)(C)C

DOS

IR

Vibrations