Geometry & MOs

Info

ID:	10005
PubChem CID:	96115
Reduced:	Cl2N2O2C13H14 (1)
Stoich.:	A2B2C2D13E14 (1)
Weight, g/mol:	300.043233
ΔH_f, kcal/mol:	-67.26
Dipole, Da:	4.07
IP(EA), eV:	-9.58(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[bis(2-chloroethyl)aminomethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CN(CCCl)CCCl

DOS

IR

Vibrations