Geometry & MOs

Info

ID:	72454
PubChem CID:	48416192
Reduced:	N2O6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	399.204573
ΔH_f, kcal/mol:	-153.6
Dipole, Da:	3.8
IP(EA), eV:	-8.98(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-[3-(4-methoxyphenyl)propanoylamino]propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations