Geometry & MOs

Info

ID:	408401
PubChem CID:	135081167
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	193.073893
ΔH_f, kcal/mol:	-142.98
Dipole, Da:	0.46
IP(EA), eV:	-10.32(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-methoxyphenyl)aziridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H](CCC=C)CO

DOS

IR

Vibrations