Geometry & MOs

Info

ID:	5561
PubChem CID:	13334
Reduced:	Cl2N2O3C19H22 (1)
Stoich.:	A2B2C3D19E22 (1)
Weight, g/mol:	396.100748
ΔH_f, kcal/mol:	-103.01
Dipole, Da:	6.64
IP(EA), eV:	-8.68(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C(=O)O)N)OC2=CC=C(C=C2)N(CCCl)CCCl

DOS

IR

Vibrations