Geometry & MOs

Info

ID:	337016
PubChem CID:	127256581
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	127.063329
ΔH_f, kcal/mol:	-24.32
Dipole, Da:	1.7
IP(EA), eV:	-8.87(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2H-azirine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCOC(=O)C2=NC2

DOS

IR

Vibrations