Geometry & MOs

Info

ID:	387123
PubChem CID:	134984093
Reduced:	NCl2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	283.112777
ΔH_f, kcal/mol:	64.5
Dipole, Da:	2.86
IP(EA), eV:	-8.96(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-but-3-enyl-3-(4-chlorophenyl)-1-phenylaziridine

Drug info:

PubChemData

Smile

C=CCC[C@H]1[C@H](N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations