Geometry & MOs

Info

ID:	337012
PubChem CID:	127256577
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	22.49
Dipole, Da:	2.4
IP(EA), eV:	-9.54(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylhex-5-enyl 2H-azirine-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations