Geometry & MOs

Info

ID:	72476
PubChem CID:	48416217
Reduced:	NO4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-181.17
Dipole, Da:	5.65
IP(EA), eV:	-8.57(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations