Geometry & MOs

Info

ID:	387259
PubChem CID:	134984629
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	337.204179
ΔH_f, kcal/mol:	-30.09
Dipole, Da:	2.5
IP(EA), eV:	-9.32(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3R)-1-benzhydryl-3-(2-methylpropyl)aziridine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H](N1C(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations