Geometry & MOs

Info

ID:	404666
PubChem CID:	135068959
Reduced:	O3H16C17 (1)
Stoich.:	A3B16C17 (1)
Weight, g/mol:	383.024662
ΔH_f, kcal/mol:	-52.93
Dipole, Da:	4.42
IP(EA), eV:	-9.48(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2,2,2-trichloro-1-phenylethyl] 2-(2-methylphenyl)aziridine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@]12[C@H]3CC[C@@H]1OC(=O)C(=C2C(=O)C3)C4=CC=CC=C4

DOS

IR

Vibrations