Geometry & MOs

Info

ID:	1256
PubChem CID:	4053
Reduced:	Cl2N2O2C13H18 (1)
Stoich.:	A2B2C2D13E18 (1)
Weight, g/mol:	304.074533
ΔH_f, kcal/mol:	-94.52
Dipole, Da:	3.26
IP(EA), eV:	-8.85(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl

DOS

IR

Vibrations