Geometry & MOs

Info

ID:	192674
PubChem CID:	78299487
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	532.226825
ΔH_f, kcal/mol:	-109.22
Dipole, Da:	4.09
IP(EA), eV:	-8.54(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-3-[4-[2-(diethylamino)ethoxy]-3-ethoxyphenyl]propanoate;oxalic acid

Drug info:

PubChemData

Smile

CCC12CCC[N+]3(C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OCC)O)[O-]

DOS

IR

Vibrations