Geometry & MOs

Info

ID:	397
PubChem CID:	2708
Reduced:	NCl2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	303.079284
ΔH_f, kcal/mol:	-101.25
Dipole, Da:	3.86
IP(EA), eV:	-8.83(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCCC(=O)O)N(CCCl)CCCl

DOS

IR

Vibrations