Geometry & MOs

Info

ID:	337017
PubChem CID:	127256582
Reduced:	NO2C6H9 (1)
Stoich.:	AB2C6D9 (1)
Weight, g/mol:	155.094629
ΔH_f, kcal/mol:	-17.08
Dipole, Da:	1.8
IP(EA), eV:	-11.29(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentyl 2H-azirine-3-carboxylate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=NC1

DOS

IR

Vibrations