Geometry & MOs

Info

ID:	173289
PubChem CID:	75619004
Reduced:	BrN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-72.45
Dipole, Da:	1.34
IP(EA), eV:	-9.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=O)C=CC2=CC=C(O2)Br

DOS

IR

Vibrations