Geometry & MOs

Info

ID:	374136
PubChem CID:	131324157
Reduced:	ON4H6C8 (1)
Stoich.:	AB4C6D8 (1)
Weight, g/mol:	241.086957
ΔH_f, kcal/mol:	68.09
Dipole, Da:	11.3
IP(EA), eV:	-9.72(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-amino-5-(chloromethyl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C2=NC(=O)C=CN2N1)C#N

DOS

IR

Vibrations