Geometry & MOs

Info

ID:	261923
PubChem CID:	103259225
Reduced:	ClNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	366.99747
ΔH_f, kcal/mol:	-90.55
Dipole, Da:	5.8
IP(EA), eV:	-9.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(OC(=C1)CN[C@@H](C)C2=CC(=CC=C2)Cl)C(=O)O

DOS

IR

Vibrations