Geometry & MOs

Info

ID:	19694
PubChem CID:	570552
Reduced:	ON2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	398.174276
ΔH_f, kcal/mol:	96.03
Dipole, Da:	2.35
IP(EA), eV:	-9.29(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,3-bis(1-phenylethyl)triaziridin-1-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2N(N2N3C(=O)C4=CC=CC=C4C3=O)C(C)C5=CC=CC=C5

DOS

IR

Vibrations