Geometry & MOs

Info

ID:	178620
PubChem CID:	76357159
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	431.149951
ΔH_f, kcal/mol:	52.73
Dipole, Da:	7.22
IP(EA), eV:	-8.91(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-ethylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C=CC(=O)NC2=CC=NC3=CC=NN32

DOS

IR

Vibrations