Geometry & MOs

Info

ID:	10021
PubChem CID:	96446
Reduced:	NCl2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	317.094934
ΔH_f, kcal/mol:	-106.34
Dipole, Da:	4.54
IP(EA), eV:	-9.01(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[bis(2-chloroethyl)amino]phenyl]pentanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCCCC(=O)O)N(CCCl)CCCl

DOS

IR

Vibrations