Geometry & MOs

Info

ID:	310214
PubChem CID:	126576814
Reduced:	N2O2C11H18 (1)
Stoich.:	A2B2C11D18 (1)
Weight, g/mol:	184.040341
ΔH_f, kcal/mol:	-96.64
Dipole, Da:	4.71
IP(EA), eV:	-9.91(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-2-(2-chloroacetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H](N1C(=O)OC(C)(C)C)C#N

DOS

IR

Vibrations