Geometry & MOs

Info

ID:	337015
PubChem CID:	127256580
Reduced:	NO2C8H13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-28.04
Dipole, Da:	1.95
IP(EA), eV:	-11.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)ethyl 2H-azirine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCOC(=O)C1=NC1

DOS

IR

Vibrations