Geometry & MOs

Info

ID:	13506
PubChem CID:	238871
Reduced:	NCl2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	289.063634
ΔH_f, kcal/mol:	-96.39
Dipole, Da:	5.51
IP(EA), eV:	-9.13(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[bis(2-chloroethyl)amino]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCC(=O)O)N(CCCl)CCCl

DOS

IR

Vibrations