Geometry & MOs

Info

ID:	146252
PubChem CID:	53659386
Reduced:	BrClNO2C9H9 (1)
Stoich.:	ABCD2E9F9 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-75.14
Dipole, Da:	3.04
IP(EA), eV:	-9.65(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenoxyethyl 3-[3-acetamido-N-(2-cyanoethyl)anilino]propanoate

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)CBr)Cl)C(=O)O

DOS

IR

Vibrations