Geometry & MOs

Info

ID:	72477
PubChem CID:	48416218
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	416.158351
ΔH_f, kcal/mol:	-125.77
Dipole, Da:	4.27
IP(EA), eV:	-9.11(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations