Geometry & MOs

Info

ID:	337010
PubChem CID:	127256575
Reduced:	NF3O3H6C8 (1)
Stoich.:	AB3C3D6E8 (1)
Weight, g/mol:	197.141579
ΔH_f, kcal/mol:	-180.71
Dipole, Da:	9.27
IP(EA), eV:	-10.72(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylhexyl (2S)-2H-azirine-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=NC(=O)C=C1.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations