Geometry & MOs

Info

ID:	5871
PubChem CID:	13936
Reduced:	NNaCl2O2C14H18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	325.061229
ΔH_f, kcal/mol:	-159.59
Dipole, Da:	5.38
IP(EA), eV:	-8.92(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCCC(=O)[O-])N(CCCl)CCCl.[Na+]

DOS

IR

Vibrations