Geometry & MOs

Info

ID:	72474
PubChem CID:	48416215
Reduced:	ClNO4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-146.17
Dipole, Da:	2.67
IP(EA), eV:	-8.68(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-(pyridine-2-carbonylamino)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC=CC=C2Cl)C(=O)OC

DOS

IR

Vibrations