Geometry & MOs

Info

ID:	337013
PubChem CID:	127256578
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	155.094629
ΔH_f, kcal/mol:	15.44
Dipole, Da:	2.42
IP(EA), eV:	-9.39(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentan-2-yl 2H-azirine-2-carboxylate

Drug info:

PubChemData

Smile

C=CCC(CCOC(=O)C1C=N1)C2=CC=CC=C2

DOS

IR

Vibrations