Geometry & MOs

Info

ID:	194477
PubChem CID:	78542828
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	399.131802
ΔH_f, kcal/mol:	-107.45
Dipole, Da:	4.88
IP(EA), eV:	-8.65(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCC(=O)OC(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C

DOS

IR

Vibrations