Geometry & MOs

Info

ID:	389907
PubChem CID:	134995885
Reduced:	O2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	187.025641
ΔH_f, kcal/mol:	-90.77
Dipole, Da:	3.2
IP(EA), eV:	-9.96(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-fluoro-2-(trifluoromethyl)aziridine-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]([C@H](C(C)(C)C)O)C(=O)C1=CC=CC=C1

DOS

IR

Vibrations