Geometry & MOs

Info

ID:	72371
PubChem CID:	48416098
Reduced:	N2O2C9H11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	358.152872
ΔH_f, kcal/mol:	-120.58
Dipole, Da:	4.42
IP(EA), eV:	-8.68(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=NC=CN=C2N)C(=O)OC

DOS

IR

Vibrations