Geometry & MOs

Info

ID:	151674
PubChem CID:	56261082
Reduced:	BrN2O3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	365.162708
ΔH_f, kcal/mol:	-68.36
Dipole, Da:	5.61
IP(EA), eV:	-9.56(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,5-dimethoxyphenyl)-N-[2-(4-prop-2-ynoxyphenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)CCN(CC1=CN=CC=C1)C(=O)C2CC2C3=CC=C(C=C3)Br

DOS

IR

Vibrations