Geometry & MOs

Info

ID:	72416
PubChem CID:	48416152
Reduced:	N2O6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	385.188923
ΔH_f, kcal/mol:	-151.6
Dipole, Da:	4.79
IP(EA), eV:	-8.7(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-ethoxyphenyl)methyl]-3-(2-phenoxypropanoylamino)propanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(CNC(=O)CC2=CC=CC=C2[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations