Geometry & MOs

Info

ID:	72400
PubChem CID:	48416132
Reduced:	NO3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	370.189257
ΔH_f, kcal/mol:	-211.58
Dipole, Da:	1.95
IP(EA), eV:	-8.76(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-(3-pyridin-3-ylpropanoylamino)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C(=O)OC

DOS

IR

Vibrations