Geometry & MOs

Info

ID:	337011
PubChem CID:	127256576
Reduced:	NO2C11H19 (1)
Stoich.:	AB2C11D19 (1)
Weight, g/mol:	215.094629
ΔH_f, kcal/mol:	-46.54
Dipole, Da:	2.84
IP(EA), eV:	-10.91(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylbut-3-enyl 2H-azirine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCC(CC)COC(=O)[C@@H]1C=N1

DOS

IR

Vibrations