Geometry & MOs

Info

ID:	408396
PubChem CID:	135081162
Reduced:	OC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	231.050713
ΔH_f, kcal/mol:	-75.53
Dipole, Da:	5.34
IP(EA), eV:	-9.66(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[4-(trifluoromethyl)phenyl]aziridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(OC(=O)C1)C2=CC=CC=C2

DOS

IR

Vibrations