Geometry & MOs

Info

ID:	72365
PubChem CID:	48416091
Reduced:	N2O5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	399.204573
ΔH_f, kcal/mol:	-172.22
Dipole, Da:	6.79
IP(EA), eV:	-8.45(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CCC2=C(ON=C2C)C)C(=O)OC

DOS

IR

Vibrations