Geometry & MOs

Info

ID:	10059
PubChem CID:	96601
Reduced:	NO2Cl3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	325.040312
ΔH_f, kcal/mol:	-124.75
Dipole, Da:	3.39
IP(EA), eV:	-9.08(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[bis(2-chloropropyl)amino]methyl]-6-chlorobenzene-1,3-diol

Drug info:

PubChemData

Smile

CC(CN(CC1=CC(=C(C=C1O)O)Cl)CC(C)Cl)Cl

DOS

IR

Vibrations